Home Other Building Blocks 3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-

3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-

CAS No.:
127-41-3
Catalog Number:
AG000WIX
Molecular Formula:
C13H20O
Molecular Weight:
192.2973
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%(GC)
In Stock USA
United States
$39
- +
5g
95%(GC)
In Stock USA
United States
$57
- +
25g
95%(GC)
In Stock USA
United States
$112
- +
100g
95%(GC)
In Stock USA
United States
$223
- +
Product Description
Catalog Number:
AG000WIX
Chemical Name:
3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-
CAS Number:
127-41-3
Molecular Formula:
C13H20O
Molecular Weight:
192.2973
MDL Number:
MFCD00001565
IUPAC Name:
(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
InChI:
InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+
InChI Key:
UZFLPKAIBPNNCA-BQYQJAHWSA-N
SMILES:
CC(=O)/C=C/C1C(=CCCC1(C)C)C
NSC Number:
34560
FEMA Number:
2594
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  
Literature
Title Journal
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Properties