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Home > Nitro Compounds > 83567-02-6
83567-02-6 | 2-Cyclohexen-1-one,2-hydroxy-4,4,6,6-tetramethyl-3-nitro-
CAS No: 83567-02-6 Catalog No: AG004Z9Y MDL No:
Product Description
Catalog Number:
AG004Z9Y
Chemical Name:
2-Cyclohexen-1-one,2-hydroxy-4,4,6,6-tetramethyl-3-nitro-
CAS Number:
83567-02-6
Molecular Formula:
C10H15NO4
Molecular Weight:
213.2304
IUPAC Name:
2-hydroxy-4,4,6,6-tetramethyl-3-nitrocyclohex-2-en-1-one
InChI:
InChI=1S/C10H15NO4/c1-9(2)5-10(3,4)8(13)6(12)7(9)11(14)15/h12H,5H2,1-4H3
InChI Key:
XUKDJCXTIFFHIE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1=C(O)C(=O)C(CC1(C)C)(C)C
EC Number:
280-487-6
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.233g/mol
Monoisotopic Mass:
213.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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