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86504-38-3 | 1-Cyclohexene-1-carboxaldehyde, 3-(hydroxyimino)-2,6,6-trimethyl-
CAS No: 86504-38-3 Catalog No: AG004Q50 MDL No:
Product Description
Catalog Number:
AG004Q50
Chemical Name:
1-Cyclohexene-1-carboxaldehyde, 3-(hydroxyimino)-2,6,6-trimethyl-
CAS Number:
86504-38-3
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
IUPAC Name:
3-hydroxyimino-2,6,6-trimethylcyclohexene-1-carbaldehyde
InChI:
InChI=1S/C10H15NO2/c1-7-8(6-12)10(2,3)5-4-9(7)11-13/h6,13H,4-5H2,1-3H3
InChI Key:
MEJWJCRYLIFRQU-UHFFFAOYSA-N
SMILES:
ON=C1CCC(C(=C1C)C=O)(C)C
Properties
Complexity:
287
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:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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