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132017-98-2 | Benzenepropanoic acid, 2-hydroxy-4-methoxy-β-oxo-, methyl ester
CAS No: 132017-98-2 Catalog No: AG00102R MDL No:MFCD06658481
Product Description
Catalog Number:
AG00102R
Chemical Name:
Benzenepropanoic acid, 2-hydroxy-4-methoxy-β-oxo-, methyl ester
CAS Number:
132017-98-2
Molecular Formula:
C11H12O5
Molecular Weight:
224.2100
MDL Number:
MFCD06658481
IUPAC Name:
methyl 3-(2-hydroxy-4-methoxyphenyl)-3-oxopropanoate
InChI:
InChI=1S/C11H12O5/c1-15-7-3-4-8(9(12)5-7)10(13)6-11(14)16-2/h3-5,12H,6H2,1-2H3
InChI Key:
AZJQOYPDNARFMM-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)c1ccc(cc1O)OC
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.068g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.212g/mol
Monoisotopic Mass:
224.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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