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Home > Nitro Compounds > 98070-60-1
98070-60-1 | 2-Methyl-2-nitropropanal
CAS No: 98070-60-1 Catalog No: AG00H5ZB MDL No:MFCD23135378
Product Description
Catalog Number:
AG00H5ZB
Chemical Name:
2-Methyl-2-nitropropanal
CAS Number:
98070-60-1
Molecular Formula:
C4H7NO3
Molecular Weight:
117.1033
MDL Number:
MFCD23135378
IUPAC Name:
2-methyl-2-nitropropanal
InChI:
InChI=1S/C4H7NO3/c1-4(2,3-6)5(7)8/h3H,1-2H3
InChI Key:
ZJINATIPCAZCTI-UHFFFAOYSA-N
SMILES:
O=CC([N+](=O)[O-])(C)C
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.043g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
117.104g/mol
Monoisotopic Mass:
117.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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