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19806-14-5 | [1,1'-Biphenyl]-4,4'-diacetic acid
CAS No: 19806-14-5 Catalog No: AG002B9U MDL No:
Product Description
Catalog Number:
AG002B9U
Chemical Name:
[1,1'-Biphenyl]-4,4'-diacetic acid
CAS Number:
19806-14-5
Molecular Formula:
C16H14O4
Molecular Weight:
270.2800
IUPAC Name:
2-[4-[4-(carboxymethyl)phenyl]phenyl]acetic acid
InChI:
InChI=1S/C16H14O4/c17-15(18)9-11-1-5-13(6-2-11)14-7-3-12(4-8-14)10-16(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20)
InChI Key:
CXLNWJSKZPSWPR-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1)c1ccc(cc1)CC(=O)O
NSC Number:
51510
Properties
Complexity:
302
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:
5
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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