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1354954-25-8 | 4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoic acid
CAS No: 1354954-25-8 Catalog No: AG019RR9 MDL No:MFCD18613904
Product Description
Catalog Number:
AG019RR9
Chemical Name:
4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoic acid
CAS Number:
1354954-25-8
Molecular Formula:
C11H12N2O4
Molecular Weight:
236.2240
MDL Number:
MFCD18613904
IUPAC Name:
4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoic acid
InChI:
InChI=1S/C11H12N2O4/c1-17-9-3-2-7(10(14)15)6-8(9)13-5-4-12-11(13)16/h2-3,6H,4-5H2,1H3,(H,12,16)(H,14,15)
InChI Key:
LIPDGLVHPHKJCM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1N1CCNC1=O)C(=O)O
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.227g/mol
Monoisotopic Mass:
236.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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