200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 181487-68-3
181487-68-3 | Butanedioic acid, 2-(2-methylpropyl)-, 4-methyl ester, (2S)-
CAS No: 181487-68-3 Catalog No: AG0022WC MDL No:
Product Description
Catalog Number:
AG0022WC
Chemical Name:
Butanedioic acid, 2-(2-methylpropyl)-, 4-methyl ester, (2S)-
CAS Number:
181487-68-3
Molecular Formula:
C9H15O4-
Molecular Weight:
187.2130
IUPAC Name:
(2S)-2-(2-methoxy-2-oxoethyl)-4-methylpentanoate
InChI:
InChI=1S/C9H16O4/c1-6(2)4-7(9(11)12)5-8(10)13-3/h6-7H,4-5H2,1-3H3,(H,11,12)/p-1/t7-/m0/s1
InChI Key:
REUDDXCWANRXHG-ZETCQYMHSA-M
SMILES:
COC(=O)C[C@@H](C(=O)[O-])CC(C)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
187.097g/mol
Formal Charge:
-1
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.215g/mol
Monoisotopic Mass:
187.097g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.