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1751-97-9 | [1,1'-Biphenyl]-3,3'-dicarboxylic acid, 3,3'-dimethyl ester
CAS No: 1751-97-9 Catalog No: AG002050 MDL No:MFCD09032456
Product Description
Catalog Number:
AG002050
Chemical Name:
[1,1'-Biphenyl]-3,3'-dicarboxylic acid, 3,3'-dimethyl ester
CAS Number:
1751-97-9
Molecular Formula:
C16H14O4
Molecular Weight:
270.2800
MDL Number:
MFCD09032456
IUPAC Name:
methyl 3-(3-methoxycarbonylphenyl)benzoate
InChI:
InChI=1S/C16H14O4/c1-19-15(17)13-7-3-5-11(9-13)12-6-4-8-14(10-12)16(18)20-2/h3-10H,1-2H3
InChI Key:
BCRVAPBPPFMTNB-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)c1cccc(c1)C(=O)OC
NSC Number:
105647
Properties
Complexity:
318
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:
0
Isotope Atom Count:
0
Molecular Weight:
270.284g/mol
Monoisotopic Mass:
270.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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