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Home > Nitro Compounds > 84903-28-6
84903-28-6 | 1,3-Cyclohexadien-1-ol, 5,5-dimethyl-2-nitro-
CAS No: 84903-28-6 Catalog No: AG004Q1O MDL No:
Product Description
Catalog Number:
AG004Q1O
Chemical Name:
1,3-Cyclohexadien-1-ol, 5,5-dimethyl-2-nitro-
CAS Number:
84903-28-6
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
IUPAC Name:
5,5-dimethyl-2-nitrocyclohexa-1,3-dien-1-ol
InChI:
InChI=1S/C8H11NO3/c1-8(2)4-3-6(9(11)12)7(10)5-8/h3-4,10H,5H2,1-2H3
InChI Key:
LMOGKYQYEBBYFP-UHFFFAOYSA-N
SMILES:
OC1=C(C=CC(C1)(C)C)[N+](=O)[O-]
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.18g/mol
Monoisotopic Mass:
169.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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