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101133-70-4 | Butanoic acid, 4-[(3-hydroxyphenyl)amino]-4-oxo-, methyl ester
CAS No: 101133-70-4 Catalog No: AG0003TP MDL No:
Product Description
Catalog Number:
AG0003TP
Chemical Name:
Butanoic acid, 4-[(3-hydroxyphenyl)amino]-4-oxo-, methyl ester
CAS Number:
101133-70-4
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
IUPAC Name:
methyl 4-(3-hydroxyanilino)-4-oxobutanoate
InChI:
InChI=1S/C11H13NO4/c1-16-11(15)6-5-10(14)12-8-3-2-4-9(13)7-8/h2-4,7,13H,5-6H2,1H3,(H,12,14)
InChI Key:
ZIRHKMMOHACNSS-UHFFFAOYSA-N
SMILES:
COC(=O)CCC(=O)Nc1cccc(c1)O
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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