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Home > Nitro Compounds > 6588-68-7
6588-68-7 | 3,5-DiMethyl-1-nitroadaMantane
CAS No: 6588-68-7 Catalog No: AG00FG98 MDL No:
Product Description
Catalog Number:
AG00FG98
Chemical Name:
3,5-DiMethyl-1-nitroadaMantane
CAS Number:
6588-68-7
IUPAC Name:
1,3-dimethyl-5-nitroadamantane
InChI:
InChI=1S/C12H19NO2/c1-10-3-9-4-11(2,6-10)8-12(5-9,7-10)13(14)15/h9H,3-8H2,1-2H3
InChI Key:
FUZZFPVZJGQAKD-UHFFFAOYSA-N
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.142g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.289g/mol
Monoisotopic Mass:
209.142g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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