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88195-31-7 | 1-Propanol, 2-(hydroxynitrosoamino)-
CAS No: 88195-31-7 Catalog No: AG004C80 MDL No:
Product Description
Catalog Number:
AG004C80
Chemical Name:
1-Propanol, 2-(hydroxynitrosoamino)-
CAS Number:
88195-31-7
Molecular Formula:
C3H8N2O3
Molecular Weight:
120.1072
IUPAC Name:
(Z)-hydroxyimino-(1-hydroxypropan-2-yl)-oxidoazanium
InChI:
InChI=1S/C3H8N2O3/c1-3(2-6)5(8)4-7/h3,6-7H,2H2,1H3/b5-4-
InChI Key:
IDWDQTUMRSGLSV-PLNGDYQASA-N
SMILES:
CC(N(N=O)O)CO
Properties
Complexity:
92.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
120.053g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
120.108g/mol
Monoisotopic Mass:
120.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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