o-Cresyl acetate
PubChem CID: 10778
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| Compound Synonyms | o-Tolyl acetate, 533-18-6, o-Cresyl acetate, 2-Methylphenyl acetate, o-Cresol acetate, Acetyl-o-cresol, 2-Acetoxytoluene, (2-methylphenyl) acetate, Tolyl acetate, Acetic acid 2-methylphenyl ester, ACETIC ACID, 2-METHYLPHENYL ESTER, Acetic acid, o-tolyl ester, o-Cresylic acetate, Acetic Acid o-Tolyl Ester, o-Acetoxytoluene, Acetoxytoluene, o-, Cresylic acetate, o-, o-Methylphenyl acetate, FEMA No. 3072, Methylphenyl acetate, o-, 4-Cresyl acetate, NSC 58961, Acetic acid, methylphenyl ester, 1333-46-6, O-CRESOLACETATE, 606K99GR0L, EINECS 208-556-8, MFCD00053704, NSC-58961, CRESOL ACETATE, O-, AI3-04168, O-CRESYL ACETATE [MI], 59WKY88A8Q, O-TOLYL ACETATE [FHFI], DTXSID7060201, Acetic acid, o-tolyl ester (8CI), 2-Methylphenyl ester of acetic acid, UNII-606K99GR0L, methylphenyl acetate, Cresyl acetate, o-, Acetic acid, tolyl ester, Acetic Acid o-Cresyl Ester, UNII-59WKY88A8Q, SCHEMBL172737, DTXCID6041391, NSC6257, CHEBI:179656, DTXSID301055194, 2-Methylphenyl acetate, AldrichCPR, NSC-6257, NSC58961, EINECS 215-591-2, AKOS002952470, CRESYL ACETATE (MIXED ISOMERS), FT00212, PS-17785, SY052277, A0669, CS-0152947, NS00012123, Q27263176, Acetic Acid (2-Methylphenyl) Ester, (2-Methylphenyl) Ethanoate, 208-556-8, 215-591-2 |
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| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 142.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2-methylphenyl) acetate |
| Prediction Hob | 1.0 |
| Class | Phenol esters |
| Xlogp | 1.6 |
| Superclass | Benzenoids |
| Molecular Formula | C9H10O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AMZORBZSQRUXNC-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -5.111 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.503 |
| Synonyms | O-Tolyl acetic acid, 2-Acetoxytoluene, 2-Methylphenyl acetate, 2-Methylphenyl ester OF acetic acid, 4-Cresyl acetate, Acetic acid, 2-methylphenyl ester, Acetic acid, methylphenyl ester, Acetic acid, O-tolyl ester, Acetic acid, O-tolyl ester (8ci), Acetyl-O-cresol, O-Acetoxytoluene, O-Cresol acetate, O-Cresolacetate, O-Cresyl acetate, O-Cresylic acetate, O-Methylphenyl acetate, Tolyl acetate, p-Cresyl acetate, Cresyl acetate, Para-cresyl acetate, 2-Methylphenyl acetic acid, p-Tolyl acetate |
| Compound Name | o-Cresyl acetate |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 150.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 150.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -2.2586337636363636 |
| Inchi | InChI=1S/C9H10O2/c1-7-5-3-4-6-9(7)11-8(2)10/h3-6H,1-2H3 |
| Smiles | CC1=CC=CC=C1OC(=O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Phenol esters |
- 1. Outgoing r'ship
FOUND_INto/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients