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20013-73-4 | 2-Cyclohexen-1-one, 2,6,6-trimethyl-
CAS No: 20013-73-4 Catalog No: AG002CKY MDL No:
Product Description
Catalog Number:
AG002CKY
Chemical Name:
2-Cyclohexen-1-one, 2,6,6-trimethyl-
CAS Number:
20013-73-4
Molecular Formula:
C9H14O
Molecular Weight:
138.2069
IUPAC Name:
2,6,6-trimethylcyclohex-2-en-1-one
InChI:
InChI=1S/C9H14O/c1-7-5-4-6-9(2,3)8(7)10/h5H,4,6H2,1-3H3
InChI Key:
NAXZOZQQIIMORY-UHFFFAOYSA-N
SMILES:
CC1=CCCC(C1=O)(C)C
EC Number:
243-465-7
UNII:
077U78EJL5
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.104g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.21g/mol
Monoisotopic Mass:
138.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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