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Home > Nitro Compounds > 137895-80-8
137895-80-8 | Propanal, nitro- (9CI)
CAS No: 137895-80-8 Catalog No: AG00141O MDL No:
Product Description
Catalog Number:
AG00141O
Chemical Name:
Propanal, nitro- (9CI)
CAS Number:
137895-80-8
Molecular Formula:
C3H5NO3
Molecular Weight:
103.0767
IUPAC Name:
2-nitropropanal
InChI:
InChI=1S/C3H5NO3/c1-3(2-5)4(6)7/h2-3H,1H3
InChI Key:
QKXXKWYDISYJNJ-UHFFFAOYSA-N
SMILES:
O=CC([N+](=O)[O-])C
Properties
Complexity:
84.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
103.027g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
103.077g/mol
Monoisotopic Mass:
103.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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