200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 17961-11-4
17961-11-4 | Hexanedioic acid, 1-heptyl ester
CAS No: 17961-11-4 Catalog No: AG00275I MDL No:
Product Description
Catalog Number:
AG00275I
Chemical Name:
Hexanedioic acid, 1-heptyl ester
CAS Number:
17961-11-4
Molecular Formula:
C13H23O4-
Molecular Weight:
243.3193
IUPAC Name:
6-heptoxy-6-oxohexanoate
InChI:
InChI=1S/C13H24O4/c1-2-3-4-5-8-11-17-13(16)10-7-6-9-12(14)15/h2-11H2,1H3,(H,14,15)/p-1
InChI Key:
BJIUNQZHYLBUNL-UHFFFAOYSA-M
SMILES:
CCCCCCCOC(=O)CCCCC(=O)[O-]
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.16g/mol
Formal Charge:
-1
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.323g/mol
Monoisotopic Mass:
243.16g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.