Home Carboxys 5,5'-DiMethyl-[1,1'-biphenyl]-2,2'-dicarboxylic acid

5,5'-DiMethyl-[1,1'-biphenyl]-2,2'-dicarboxylic acid

CAS No.:
93012-36-3
Catalog Number:
AG00H2OD
Molecular Formula:
C16H14O4
Molecular Weight:
270.2800
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Product Description
Catalog Number:
AG00H2OD
Chemical Name:
5,5'-DiMethyl-[1,1'-biphenyl]-2,2'-dicarboxylic acid
CAS Number:
93012-36-3
Molecular Formula:
C16H14O4
Molecular Weight:
270.2800
MDL Number:
MFCD28123769
IUPAC Name:
2-(2-carboxy-5-methylphenyl)-4-methylbenzoic acid
InChI:
InChI=1S/C16H14O4/c1-9-3-5-11(15(17)18)13(7-9)14-8-10(2)4-6-12(14)16(19)20/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChI Key:
HCUNISHLIXGFFA-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1c1cc(C)ccc1C(=O)O)C
NSC Number:
86648
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:
2.8  
Properties