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1010-56-6 | 1,3-Cyclohexanedione, 2-(1-aminoethylidene)-5,5-dimethyl-
CAS No: 1010-56-6 Catalog No: AG0003GD MDL No:
Product Description
Catalog Number:
AG0003GD
Chemical Name:
1,3-Cyclohexanedione, 2-(1-aminoethylidene)-5,5-dimethyl-
CAS Number:
1010-56-6
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
IUPAC Name:
2-ethanimidoyl-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
InChI:
InChI=1S/C10H15NO2/c1-6(11)9-7(12)4-10(2,3)5-8(9)13/h11-12H,4-5H2,1-3H3
InChI Key:
PGEPMUSVMOYMIH-UHFFFAOYSA-N
SMILES:
CC(=C1C(=O)CC(CC1=O)(C)C)N
Properties
Complexity:
300
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:
2
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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