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Vegetable fatty acids(CAS No. 61788-66-7)

Identification and Related Records

【Name】
Vegetable fatty acids
【CAS Registry number】
61788-66-7
【Synonyms】
Fatty acids vegetable oil
【EINECS(EC#)】
262-994-4
【Molecular Formula】
C10H10O (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1S/C10H10O/c1-3-8-5-6-10(11)9(4-2)7-8/h3-7,11H,1-2H2
【Canonical SMILES】
C=CC1=CC(=C(C=C1)O)C=C

Chemical and Physical Properties

【Computed Properties】
Molecular Weight:146.1858 [g/mol]
Molecular Formula:C10H10O
XLogP3-AA:3.1
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:2
Tautomer Count:4
Exact Mass:146.073165
MonoIsotopic Mass:146.073165
Topological Polar Surface Area:20.2
Heavy Atom Count:11
Formal Charge:0
Complexity:151
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Donor Count:1
Feature 3D Hydrophobe Count:2
Feature 3D Ring Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.4
CID Conformer Count:11

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