200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 144686-89-5
144686-89-5 | Hexanedioic acid, 3-hydroxy-, 1,6-dimethyl ester, (3S)-
CAS No: 144686-89-5 Catalog No: AG001JZD MDL No:
Product Description
Catalog Number:
AG001JZD
Chemical Name:
Hexanedioic acid, 3-hydroxy-, 1,6-dimethyl ester, (3S)-
CAS Number:
144686-89-5
Molecular Formula:
C8H14O5
Molecular Weight:
190.1938
IUPAC Name:
dimethyl (3S)-3-hydroxyhexanedioate
InChI:
InChI=1S/C8H14O5/c1-12-7(10)4-3-6(9)5-8(11)13-2/h6,9H,3-5H2,1-2H3/t6-/m0/s1
InChI Key:
DYDLEGFFUXTDAD-LURJTMIESA-N
SMILES:
COC(=O)CC[C@@H](CC(=O)OC)O
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
190.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.195g/mol
Monoisotopic Mass:
190.084g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.