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Home > Nitro Compounds > 7575-82-8
7575-82-8 | 1-Nitroadamantane
CAS No: 7575-82-8 Catalog No: AG005ACD MDL No:MFCD01321099
Product Description
Catalog Number:
AG005ACD
Chemical Name:
1-Nitroadamantane
CAS Number:
7575-82-8
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
MDL Number:
MFCD01321099
IUPAC Name:
1-nitroadamantane
InChI:
InChI=1S/C10H15NO2/c12-11(13)10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2
InChI Key:
HONLSNLUVRQMEK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C12CC3CC(C2)CC(C1)C3
Properties
Complexity:
215
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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