200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 82884-49-9
82884-49-9 | 2-Hexenoic acid, 2,5,5-trimethyl-4-oxo-, methyl ester, (E)-
CAS No: 82884-49-9 Catalog No: AG004SC4 MDL No:
Product Description
Catalog Number:
AG004SC4
Chemical Name:
2-Hexenoic acid, 2,5,5-trimethyl-4-oxo-, methyl ester, (E)-
CAS Number:
82884-49-9
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
IUPAC Name:
methyl 2,5,5-trimethyl-4-oxohex-2-enoate
InChI:
InChI=1S/C10H16O3/c1-7(9(12)13-5)6-8(11)10(2,3)4/h6H,1-5H3
InChI Key:
PPPUJLUFLGEGPF-UHFFFAOYSA-N
SMILES:
COC(=O)/C(=C/C(=O)C(C)(C)C)/C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.235g/mol
Monoisotopic Mass:
184.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.