Home Other Building Blocks 2-METHYLBIPHENYL-5-CARBOXYLIC ACID

2-METHYLBIPHENYL-5-CARBOXYLIC ACID

CAS No.:
401573-78-2
Catalog Number:
AG01E71A
Molecular Formula:
C14H12O2
Molecular Weight:
212.2439
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Product Description
Catalog Number:
AG01E71A
Chemical Name:
2-METHYLBIPHENYL-5-CARBOXYLIC ACID
CAS Number:
401573-78-2
Molecular Formula:
C14H12O2
Molecular Weight:
212.2439
MDL Number:
MFCD11577105
IUPAC Name:
4-methyl-3-phenylbenzoic acid
InChI:
InChI=1S/C14H12O2/c1-10-7-8-12(14(15)16)9-13(10)11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16)
InChI Key:
LDKRQIDXIOXWKR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)c1ccccc1)C
Properties
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.084g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.248g/mol
Monoisotopic Mass:
212.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties