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Home > Nitro Compounds > 88064-55-5
88064-55-5 | Cycloheptane, (nitromethyl)-
CAS No: 88064-55-5 Catalog No: AG004KRQ MDL No:
Product Description
Catalog Number:
AG004KRQ
Chemical Name:
Cycloheptane, (nitromethyl)-
CAS Number:
88064-55-5
Molecular Formula:
C8H15NO2
Molecular Weight:
157.2102
IUPAC Name:
nitromethylcycloheptane
InChI:
InChI=1S/C8H15NO2/c10-9(11)7-8-5-3-1-2-4-6-8/h8H,1-7H2
InChI Key:
JBGAUEXKEXCFOQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CC1CCCCCC1
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.11g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.213g/mol
Monoisotopic Mass:
157.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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