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24720-09-0 | 2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2E)-
CAS No: 24720-09-0 Catalog No: AG002P7F MDL No:MFCD00673214
Product Description
Catalog Number:
AG002P7F
Chemical Name:
2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2E)-
CAS Number:
24720-09-0
Molecular Formula:
C13H20O
Molecular Weight:
192.2973
MDL Number:
MFCD00673214
IUPAC Name:
(E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one
InChI:
InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3/b7-5+
InChI Key:
CRIGTVCBMUKRSL-FNORWQNLSA-N
SMILES:
C/C=C/C(=O)C1C(=CCCC1(C)C)C
EC Number:
246-430-4
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
192.151g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.302g/mol
Monoisotopic Mass:
192.151g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| TMCHB: a possible alternative to DNCB in skin testing for immune competence. | Contact dermatitis 19880801 |
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