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89574-89-0 | Acetaldehyde, 2-hydroxy-1-nitro-
CAS No: 89574-89-0 Catalog No: AG003XYX MDL No:
Product Description
Catalog Number:
AG003XYX
Chemical Name:
Acetaldehyde, 2-hydroxy-1-nitro-
CAS Number:
89574-89-0
Molecular Formula:
C2H3NO4
Molecular Weight:
105.0495
IUPAC Name:
2-hydroxy-1-nitroethanone
InChI:
InChI=1S/C2H3NO4/c4-1-2(5)3(6)7/h4H,1H2
InChI Key:
QPNYDWGJPCXKFG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(=O)CO
Properties
Complexity:
92.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
105.006g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
105.049g/mol
Monoisotopic Mass:
105.006g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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