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1261911-97-0 | [1,1'-Biphenyl]-4-carboxylic acid, 2-methyl-3'-(phenylmethoxy)-
CAS No: 1261911-97-0 Catalog No: AG000S56 MDL No:MFCD18322860
Product Description
Catalog Number:
AG000S56
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 2-methyl-3'-(phenylmethoxy)-
CAS Number:
1261911-97-0
Molecular Formula:
C21H18O3
Molecular Weight:
318.3658
MDL Number:
MFCD18322860
IUPAC Name:
3-methyl-4-(3-phenylmethoxyphenyl)benzoic acid
InChI:
InChI=1S/C21H18O3/c1-15-12-18(21(22)23)10-11-20(15)17-8-5-9-19(13-17)24-14-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,22,23)
InChI Key:
CDXHSPZQHUCFFR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)C)c1cccc(c1)OCc1ccccc1
Properties
Complexity:
402
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:
4.9
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