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Home > Nitro Compounds > 88226-40-8
88226-40-8 | Cycloheptanone, 2-(hydroxymethyl)-2-nitro-
CAS No: 88226-40-8 Catalog No: AG004B7X MDL No:
Product Description
Catalog Number:
AG004B7X
Chemical Name:
Cycloheptanone, 2-(hydroxymethyl)-2-nitro-
CAS Number:
88226-40-8
Molecular Formula:
C8H13NO4
Molecular Weight:
187.1931
IUPAC Name:
2-(hydroxymethyl)-2-nitrocycloheptan-1-one
InChI:
InChI=1S/C8H13NO4/c10-6-8(9(12)13)5-3-1-2-4-7(8)11/h10H,1-6H2
InChI Key:
FIYKOQHLCNCHHK-UHFFFAOYSA-N
SMILES:
OCC1(CCCCCC1=O)[N+](=O)[O-]
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.195g/mol
Monoisotopic Mass:
187.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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