200,000+ products from a single source!
sales@angenechem.com
130895-13-5 | 1-Cyclohexene-1-propanoic acid, 3-oxo-, methyl ester
CAS No: 130895-13-5 Catalog No: AG000V2T MDL No:
Product Description
Catalog Number:
AG000V2T
Chemical Name:
1-Cyclohexene-1-propanoic acid, 3-oxo-, methyl ester
CAS Number:
130895-13-5
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
IUPAC Name:
methyl 3-(3-oxocyclohexen-1-yl)propanoate
InChI:
InChI=1S/C10H14O3/c1-13-10(12)6-5-8-3-2-4-9(11)7-8/h7H,2-6H2,1H3
InChI Key:
XAISMWBBCREKIP-UHFFFAOYSA-N
SMILES:
COC(=O)CCC1=CC(=O)CCC1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.