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Home > Imidazoles > 1219375-49-1
1219375-49-1 | 4-(1,3-Dioxotetrahydro-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl)benzoic acid
CAS No: 1219375-49-1 Catalog No: AG00HGIT MDL No:MFCD13372579
Product Description
Catalog Number:
AG00HGIT
Chemical Name:
4-(1,3-Dioxotetrahydro-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl)benzoic acid
CAS Number:
1219375-49-1
Molecular Formula:
C13H12N2O4
Molecular Weight:
260.2454
MDL Number:
MFCD13372579
IUPAC Name:
4-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)benzoic acid
InChI:
InChI=1S/C13H12N2O4/c16-11-10-2-1-7-14(10)13(19)15(11)9-5-3-8(4-6-9)12(17)18/h3-6,10H,1-2,7H2,(H,17,18)
InChI Key:
QBZGUYIVQQJBHQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)N1C(=O)C2N(C1=O)CCC2
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.249g/mol
Monoisotopic Mass:
260.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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