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Home > Nitro Compounds > 1844857-53-9
1844857-53-9 | (3-nitro-1H-pyrazol-5-yl)methanol
CAS No: 1844857-53-9 Catalog No: AG00JG57 MDL No:MFCD18262399
Product Description
Catalog Number:
AG00JG57
Chemical Name:
(3-nitro-1H-pyrazol-5-yl)methanol
CAS Number:
1844857-53-9
Molecular Formula:
C4H5N3O3
Molecular Weight:
143.1008
MDL Number:
MFCD18262399
IUPAC Name:
(5-nitro-1H-pyrazol-3-yl)methanol
InChI:
InChI=1S/C4H5N3O3/c8-2-3-1-4(6-5-3)7(9)10/h1,8H,2H2,(H,5,6)
InChI Key:
KXBNQNCHAUDZRL-UHFFFAOYSA-N
SMILES:
OCc1[nH]nc(c1)[N+](=O)[O-]
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.033g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
143.102g/mol
Monoisotopic Mass:
143.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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