200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1391765-55-1
1391765-55-1 | Cyclohexanecarboxylic acid, 1-(cyclopropylmethyl)-4-oxo-, methyl ester
CAS No: 1391765-55-1 Catalog No: AG001AFO MDL No:
Product Description
Catalog Number:
AG001AFO
Chemical Name:
Cyclohexanecarboxylic acid, 1-(cyclopropylmethyl)-4-oxo-, methyl ester
CAS Number:
1391765-55-1
Molecular Formula:
C12H18O3
Molecular Weight:
210.2695
IUPAC Name:
methyl 1-(cyclopropylmethyl)-4-oxocyclohexane-1-carboxylate
InChI:
InChI=1S/C12H18O3/c1-15-11(14)12(8-9-2-3-9)6-4-10(13)5-7-12/h9H,2-8H2,1H3
InChI Key:
DPMSBMTUFXHKDI-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCC(=O)CC1)CC1CC1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.273g/mol
Monoisotopic Mass:
210.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.