sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 3-Methyl-3-buten-2-one (stabilized with HQ), 95%

3-Methyl-3-buten-2-one (stabilized with HQ), 95%

CAS No.:
814-78-8
Catalog Number:
AG003JPK
Molecular Formula:
C5H8O
Molecular Weight:
84.1164
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG003JPK
Chemical Name:
3-Methyl-3-buten-2-one (stabilized with HQ), 95%
CAS Number:
814-78-8
Molecular Formula:
C5H8O
Molecular Weight:
84.1164
MDL Number:
MFCD00059207
IUPAC Name:
3-methylbut-3-en-2-one
InChI:
InChI=1S/C5H8O/c1-4(2)5(3)6/h1H2,2-3H3
InChI Key:
ZGHFDIIVVIFNPS-UHFFFAOYSA-N
SMILES:
CC(=O)C(=C)C
EC Number:
212-405-1
UNII:
F64867GQVB
NSC Number:
24150
UN Number:
1246
Properties
Complexity:
81.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
84.058g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
84.118g/mol
Monoisotopic Mass:
84.058g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Difference in the volatile composition of pine-mushrooms (Tricholoma matsutake Sing.) according to their grades. Journal of agricultural and food chemistry 20060628
An experimental study of the gas-phase reaction of the NO3 radical with alpha,beta-unsaturated carbonyl compounds. Physical chemistry chemical physics : PCCP 20050221
Aroma active components in aqueous kiwi fruit essence and kiwi fruit puree by GC-MS and multidimensional GC/GC-O. Journal of agricultural and food chemistry 20020911
Properties