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63297-02-9 | [1,1'-Biphenyl]-4,4'-dicarboxylic acid, 3,3'-dimethyl-
CAS No: 63297-02-9 Catalog No: AG0036XB MDL No:
Product Description
Catalog Number:
AG0036XB
Chemical Name:
[1,1'-Biphenyl]-4,4'-dicarboxylic acid, 3,3'-dimethyl-
CAS Number:
63297-02-9
Molecular Formula:
C16H14O4
Molecular Weight:
270.2800
IUPAC Name:
4-(4-carboxy-3-methylphenyl)-2-methylbenzoic acid
InChI:
InChI=1S/C16H14O4/c1-9-7-11(3-5-13(9)15(17)18)12-4-6-14(16(19)20)10(2)8-12/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChI Key:
KWJNTOJAUQZMJO-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1C)c1ccc(c(c1)C)C(=O)O
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.089g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.284g/mol
Monoisotopic Mass:
270.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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