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197526-11-7 | Benzoic acid, 4-(hydroxydiphenylmethyl)-, methyl ester
CAS No: 197526-11-7 Catalog No: AG002AVL MDL No:
Product Description
Catalog Number:
AG002AVL
Chemical Name:
Benzoic acid, 4-(hydroxydiphenylmethyl)-, methyl ester
CAS Number:
197526-11-7
Molecular Formula:
C21H18O3
Molecular Weight:
318.3658
IUPAC Name:
methyl 4-[hydroxy(diphenyl)methyl]benzoate
InChI:
InChI=1S/C21H18O3/c1-24-20(22)16-12-14-19(15-13-16)21(23,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,23H,1H3
InChI Key:
NZVTYKIFERBKCI-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)C(c1ccccc1)(c1ccccc1)O
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.126g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.372g/mol
Monoisotopic Mass:
318.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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