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Home > Nitro Compounds > 20440-73-7
20440-73-7 | Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-(nitromethylene)-
CAS No: 20440-73-7 Catalog No: AG0029HB MDL No:
Product Description
Catalog Number:
AG0029HB
Chemical Name:
Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-(nitromethylene)-
CAS Number:
20440-73-7
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
IUPAC Name:
2,2-dimethyl-3-(nitromethylidene)bicyclo[2.2.1]heptane
InChI:
InChI=1S/C10H15NO2/c1-10(2)8-4-3-7(5-8)9(10)6-11(12)13/h6-8H,3-5H2,1-2H3
InChI Key:
YSRRDKSJZLZZDU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C=C1C2CCC(C1(C)C)C2
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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