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123953-55-9 | Benzenetridecanoic acid, methyl ester
CAS No: 123953-55-9 Catalog No: AG000LA0 MDL No:
Product Description
Catalog Number:
AG000LA0
Chemical Name:
Benzenetridecanoic acid, methyl ester
CAS Number:
123953-55-9
Molecular Formula:
C20H32O2
Molecular Weight:
304.4669
IUPAC Name:
methyl 13-phenyltridecanoate
InChI:
InChI=1S/C20H32O2/c1-22-20(21)18-14-9-7-5-3-2-4-6-8-11-15-19-16-12-10-13-17-19/h10,12-13,16-17H,2-9,11,14-15,18H2,1H3
InChI Key:
JWVDZXNFGDETQE-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCCCCCCCc1ccccc1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.24g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.474g/mol
Monoisotopic Mass:
304.24g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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