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1038283-29-2 | 3-methyl-4-(2-oxoimidazolidin-1-yl)benzoic acid
CAS No: 1038283-29-2 Catalog No: AG019X14 MDL No:MFCD11167846
Product Description
Catalog Number:
AG019X14
Chemical Name:
3-methyl-4-(2-oxoimidazolidin-1-yl)benzoic acid
CAS Number:
1038283-29-2
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
MDL Number:
MFCD11167846
IUPAC Name:
3-methyl-4-(2-oxoimidazolidin-1-yl)benzoic acid
InChI:
InChI=1S/C11H12N2O3/c1-7-6-8(10(14)15)2-3-9(7)13-5-4-12-11(13)16/h2-3,6H,4-5H2,1H3,(H,12,16)(H,14,15)
InChI Key:
HKGJEHJBTKZCQW-UHFFFAOYSA-N
SMILES:
O=C1NCCN1c1ccc(cc1C)C(=O)O
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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