Home Other Building Blocks Benzenepropanoic acid, 3-Methoxy-.alpha.-oxo-

Benzenepropanoic acid, 3-Methoxy-.alpha.-oxo-

CAS No.:
68262-20-4
Catalog Number:
AG00FJ5U
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
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Product Description
Catalog Number:
AG00FJ5U
Chemical Name:
Benzenepropanoic acid, 3-Methoxy-.alpha.-oxo-
CAS Number:
68262-20-4
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
MDL Number:
MFCD09731950
IUPAC Name:
3-(3-methoxyphenyl)-2-oxopropanoic acid
InChI:
InChI=1S/C10H10O4/c1-14-8-4-2-3-7(5-8)6-9(11)10(12)13/h2-5H,6H2,1H3,(H,12,13)
InChI Key:
QRICSZPYENRNSS-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)CC(=O)C(=O)O
NSC Number:
152710
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.058g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties