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Home > Imidazoles > 111573-52-5
111573-52-5 | 5H-pyrrolo[1,2-c]imidazol-5-one
CAS No: 111573-52-5 Catalog No: AG00827L MDL No:
Product Description
Catalog Number:
AG00827L
Chemical Name:
5H-pyrrolo[1,2-c]imidazol-5-one
CAS Number:
111573-52-5
Molecular Formula:
C6H4N2O
Molecular Weight:
120.1088
IUPAC Name:
pyrrolo[1,2-c]imidazol-5-one
InChI:
InChI=1S/C6H4N2O/c9-6-2-1-5-3-7-4-8(5)6/h1-4H
InChI Key:
KACVZKWXYYSAIQ-UHFFFAOYSA-N
SMILES:
O=C1C=Cc2n1cnc2
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.032g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.111g/mol
Monoisotopic Mass:
120.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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