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150435-98-6 | Benzenebutanoic acid, 4-ethoxy-3-methyl-γ-oxo-
CAS No: 150435-98-6 Catalog No: AG001MM3 MDL No:MFCD07398080
Product Description
Catalog Number:
AG001MM3
Chemical Name:
Benzenebutanoic acid, 4-ethoxy-3-methyl-γ-oxo-
CAS Number:
150435-98-6
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
MDL Number:
MFCD07398080
IUPAC Name:
4-(4-ethoxy-3-methylphenyl)-4-oxobutanoic acid
InChI:
InChI=1S/C13H16O4/c1-3-17-12-6-4-10(8-9(12)2)11(14)5-7-13(15)16/h4,6,8H,3,5,7H2,1-2H3,(H,15,16)
InChI Key:
DSOGEBHLBXPYTC-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1C)C(=O)CCC(=O)O
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.267g/mol
Monoisotopic Mass:
236.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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