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2-Hexenyl formate, (2E)-

PubChem CID: 5352972

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Compound Synonyms trans-2-Hexenyl formate, 53398-78-0, (E)-2-Hexenyl formate, (E)-Hex-2-enyl formate, [(E)-hex-2-enyl] formate, 2-Hexenyl formate, 2-Hexen-1-ol, formate, (2E)-, 2-Hexenyl formate, (2E)-, 9FKH3Z2E3A, 2-Hexen-1-ol, 1-formate, (2E)-, EINECS 258-512-7, 3-Methylpentyl ethylphosphonofluoridate, DTXSID40866304, (E)-2-HEXENYL FORMATE [FHFI], 3-Methylpentyl ethylphosphonofluoridoate, (E)-2-Hexen-1-ol formate, UNII-9FKH3Z2E3A, e-2-hexenyl formate, (2E)-2-hexenyl formate, SCHEMBL96998, [(E)-hex-2-enyl] ormate, Formate(2E)-2-Hexen-1-ol, (E)-Hex-2-en-1-yl formate, (2E)-hex-2-en-1-yl formate, FEMA 3927, 1-Formate(2E)-2-Hexen-1-ol, DTXCID10909974, CHEBI:173499, AKOS006273756, DB-266987, NS00061014, Q27272497, 258-512-7
Topological Polar Surface Area 26.3
Hydrogen Bond Donor Count 0.0
Inchi Key SLWYMCAVYPZTRN-SNAWJCMRSA-N
Rotatable Bond Count 5.0
Synonyms (E)-2-Hexenyl formate, (E)-Hex-2-enyl formate, (Z)-2-Hexenyl formate, 1-Formate(2e)-2-hexen-1-ol, 2-Hexen-1-ol, 1-formate, (2E)-, 2-Hexen-1-ol, formate, (2E)-, 2-Hexenyl formate, 3-Methylpentyl ethylonofluoridate, 3-Methylpentyl ethylonofluoridoate, 3-methylpentyl Ethylphosphonofluoridate, 3-Methylpentyl ethylphosphonofluoridoate, FEMA 3927, Formate(2e)-2-hexen-1-ol, trans-2-Hexenyl formate
Heavy Atom Count 9.0
Compound Name 2-Hexenyl formate, (2E)-
Description Flavouring ingredient
Exact Mass 128.084
Formal Charge 0.0
Brenk Violation True
Monoisotopic Mass 128.084
Isotope Atom Count 0.0
Molecular Complexity 86.9
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 128.169
Database Name fooddb_chem_all;pubchem
Covalent Unit Count 1.0
Defined Atom Stereocenter Count 0.0
Iupac Name [(E)-hex-2-enyl] formate
Total Atom Stereocenter Count 0.0
Nih Violation False
Total Bond Stereocenter Count 1.0
Inchi InChI=1S/C7H12O2/c1-2-3-4-5-6-9-7-8/h4-5,7H,2-3,6H2,1H3/b5-4+
Smiles CCC/C=C/COC=O
Xlogp 2.0
Is Pains False
Defined Bond Stereocenter Count 1.0
Molecular Formula C7H12O2

  • 1. Outgoing r'ship FOUND_IN to/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all
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