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1000566-21-1 | Benzeneacetic acid, 5-(methoxycarbonyl)-2-methyl-
CAS No: 1000566-21-1 Catalog No: AG0000Q6 MDL No:MFCD09925055
Product Description
Catalog Number:
AG0000Q6
Chemical Name:
Benzeneacetic acid, 5-(methoxycarbonyl)-2-methyl-
CAS Number:
1000566-21-1
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
MDL Number:
MFCD09925055
IUPAC Name:
2-(5-methoxycarbonyl-2-methylphenyl)acetic acid
InChI:
InChI=1S/C11H12O4/c1-7-3-4-8(11(14)15-2)5-9(7)6-10(12)13/h3-5H,6H2,1-2H3,(H,12,13)
InChI Key:
KZGVJCJKOBSZMW-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)CC(=O)O)C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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