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1261899-37-9 | [1,1'-Biphenyl]-3-carboxylic acid, 4'-methoxy-2,2'-dimethyl-
CAS No: 1261899-37-9 Catalog No: AG000S4N MDL No:MFCD18320348
Product Description
Catalog Number:
AG000S4N
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 4'-methoxy-2,2'-dimethyl-
CAS Number:
1261899-37-9
Molecular Formula:
C16H16O3
Molecular Weight:
256.2964
MDL Number:
MFCD18320348
IUPAC Name:
3-(4-methoxy-2-methylphenyl)-2-methylbenzoic acid
InChI:
InChI=1S/C16H16O3/c1-10-9-12(19-3)7-8-13(10)14-5-4-6-15(11(14)2)16(17)18/h4-9H,1-3H3,(H,17,18)
InChI Key:
KKZFCRYYCBTJAE-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C)c1cccc(c1C)C(=O)O
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.301g/mol
Monoisotopic Mass:
256.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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