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Home > Nitro Compounds > 75438-77-6
75438-77-6 | 4(1H)-Pyrimidinone, 2-cyclopropyl-6-hydroxy-5-nitro-
CAS No: 75438-77-6 Catalog No: AG00ICMS MDL No:MFCD28991863
Product Description
Catalog Number:
AG00ICMS
Chemical Name:
4(1H)-Pyrimidinone, 2-cyclopropyl-6-hydroxy-5-nitro-
CAS Number:
75438-77-6
Molecular Formula:
C7H7N3O4
Molecular Weight:
197.1482
MDL Number:
MFCD28991863
IUPAC Name:
2-cyclopropyl-4-hydroxy-5-nitro-1H-pyrimidin-6-one
InChI:
InChI=1S/C7H7N3O4/c11-6-4(10(13)14)7(12)9-5(8-6)3-1-2-3/h3H,1-2H2,(H2,8,9,11,12)
InChI Key:
LODQXLJNUJXOHS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(O)nc(nc1O)C1CC1
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.044g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.15g/mol
Monoisotopic Mass:
197.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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