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116296-30-1 | Benzeneacetic acid, 5-acetyl-2-methoxy-
CAS No: 116296-30-1 Catalog No: AG000C4G MDL No:MFCD06373492
Product Description
Catalog Number:
AG000C4G
Chemical Name:
Benzeneacetic acid, 5-acetyl-2-methoxy-
CAS Number:
116296-30-1
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
MDL Number:
MFCD06373492
IUPAC Name:
2-(5-acetyl-2-methoxyphenyl)acetic acid
InChI:
InChI=1S/C11H12O4/c1-7(12)8-3-4-10(15-2)9(5-8)6-11(13)14/h3-5H,6H2,1-2H3,(H,13,14)
InChI Key:
ZIQLGQMVEOXQSY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1CC(=O)O)C(=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
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