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23450-30-8 | Benzoic acid, 4-(phenylmethyl)-, methyl ester
CAS No: 23450-30-8 Catalog No: AG002NAW MDL No:
Product Description
Catalog Number:
AG002NAW
Chemical Name:
Benzoic acid, 4-(phenylmethyl)-, methyl ester
CAS Number:
23450-30-8
Molecular Formula:
C15H14O2
Molecular Weight:
226.2705
IUPAC Name:
methyl 4-benzylbenzoate
InChI:
InChI=1S/C15H14O2/c1-17-15(16)14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChI Key:
JYTVUGDUMLIVTJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)Cc1ccccc1
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.099g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.275g/mol
Monoisotopic Mass:
226.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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