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3-Methoxybenzoic acid, 3-phenylpropyl ester 3-phenylpropyl 3-methoxybe

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摘 要:3-Methoxybenzoic acid, 3-phenylpropyl ester 3-phenylpropyl 3-methoxybenzoate,Canonical SMILES: COC1=CC=CC(=C1)C(=O)OCCCC2=CC=CC=C2,InChI: InChI=1/C17H18O3/c1-19-16-11-5-10-15(13-16)17(18)20-12-6-9-14-7-3-2-4-8-,14/h2-5,7-8,10-11,13H,6,9,12H2,1H3,Mole
[Synonyms]
3-Methoxybenzoic acid, 3-phenylpropyl ester
[Structure]
3-Methoxybenzoic acid, 3-phenylpropyl ester 3-phenylpropyl 3-methoxybe

[ Properties Computed from Structure]
Molecular Weight270.32302 [g/mol]
Molecular FormulaC17H18O3
XLogP4.1
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count7
Exact Mass270.125594
MonoIsotopic Mass270.125594
Topological Polar Surface Area35.5
Heavy Atom Count20
Formal Charge0
Complexity284
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 3-phenylpropyl 3-methoxybenzoate
Canonical SMILES: COC1=CC=CC(=C1)C(=O)OCCCC2=CC=CC=C2
InChI: InChI=1/C17H18O3/c1-19-16-11-5-10-15(13-16)17(18)20-12-6-9-14-7-3-2-4-8-
14/h2-5,7-8,10-11,13H,6,9,12H2,1H3

 
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