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296777-83-8 | [1,1'-Biphenyl]-4-acetic acid, 3'-methyl-
CAS No: 296777-83-8 Catalog No: AG002Z2N MDL No:MFCD05980203
Product Description
Catalog Number:
AG002Z2N
Chemical Name:
[1,1'-Biphenyl]-4-acetic acid, 3'-methyl-
CAS Number:
296777-83-8
Molecular Formula:
C15H14O2
Molecular Weight:
226.2705
MDL Number:
MFCD05980203
IUPAC Name:
2-[4-(3-methylphenyl)phenyl]acetic acid
InChI:
InChI=1S/C15H14O2/c1-11-3-2-4-14(9-11)13-7-5-12(6-8-13)10-15(16)17/h2-9H,10H2,1H3,(H,16,17)
InChI Key:
ABKKNUMOLNPQHN-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1)c1cccc(c1)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.099g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.275g/mol
Monoisotopic Mass:
226.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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