200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 113653-46-6
113653-46-6 | Propanedioic acid, cyclohexyl ester (9CI)
CAS No: 113653-46-6 Catalog No: AG00098A MDL No:
Product Description
Catalog Number:
AG00098A
Chemical Name:
Propanedioic acid, cyclohexyl ester (9CI)
CAS Number:
113653-46-6
Molecular Formula:
C9H13O4-
Molecular Weight:
185.1971
IUPAC Name:
3-cyclohexyloxy-3-oxopropanoate
InChI:
InChI=1S/C9H14O4/c10-8(11)6-9(12)13-7-4-2-1-3-5-7/h7H,1-6H2,(H,10,11)/p-1
InChI Key:
OMHQOKGHQPULBU-UHFFFAOYSA-M
SMILES:
O=C(CC(=O)[O-])OC1CCCCC1
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.081g/mol
Formal Charge:
-1
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.199g/mol
Monoisotopic Mass:
185.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.