Home Other Building Blocks 3-(3,5-dimethylphenyl)-2-oxopropanoic acid

3-(3,5-dimethylphenyl)-2-oxopropanoic acid

CAS No.:
1249127-76-1
Catalog Number:
AG01DV3Y
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
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Product Description
Catalog Number:
AG01DV3Y
Chemical Name:
3-(3,5-dimethylphenyl)-2-oxopropanoic acid
CAS Number:
1249127-76-1
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
MDL Number:
MFCD16069668
IUPAC Name:
3-(3,5-dimethylphenyl)-2-oxopropanoic acid
InChI:
InChI=1S/C11H12O3/c1-7-3-8(2)5-9(4-7)6-10(12)11(13)14/h3-5H,6H2,1-2H3,(H,13,14)
InChI Key:
YIRQAMCZOQWMPC-UHFFFAOYSA-N
SMILES:
O=C(C(=O)O)Cc1cc(C)cc(c1)C
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties