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73707-26-3 | Butanal, 4-nitro-
CAS No: 73707-26-3 Catalog No: AG005BVO MDL No:
Product Description
Catalog Number:
AG005BVO
Chemical Name:
Butanal, 4-nitro-
CAS Number:
73707-26-3
Molecular Formula:
C4H7NO3
Molecular Weight:
117.1033
IUPAC Name:
4-nitrobutanal
InChI:
InChI=1S/C4H7NO3/c6-4-2-1-3-5(7)8/h4H,1-3H2
InChI Key:
MPFLMSMVNIRCJA-UHFFFAOYSA-N
SMILES:
O=CCCC[N+](=O)[O-]
Properties
Complexity:
85.8
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:
3
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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