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1013405-79-2 | [1,1'-Biphenyl]-3-acetic acid, 3'-(phenylmethoxy)-
CAS No: 1013405-79-2 Catalog No: AG00049P MDL No:MFCD20231507
Product Description
Catalog Number:
AG00049P
Chemical Name:
[1,1'-Biphenyl]-3-acetic acid, 3'-(phenylmethoxy)-
CAS Number:
1013405-79-2
Molecular Formula:
C21H18O3
Molecular Weight:
318.3658
MDL Number:
MFCD20231507
IUPAC Name:
2-[3-(3-phenylmethoxyphenyl)phenyl]acetic acid
InChI:
InChI=1S/C21H18O3/c22-21(23)13-17-8-4-9-18(12-17)19-10-5-11-20(14-19)24-15-16-6-2-1-3-7-16/h1-12,14H,13,15H2,(H,22,23)
InChI Key:
JQQXZQKQAYXIHW-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cccc(c1)c1cccc(c1)OCc1ccccc1
Properties
Complexity:
389
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:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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