200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 88254-01-7
88254-01-7 | Propanedioic acid, methylphenyl-, monoethyl ester, (S)-
CAS No: 88254-01-7 Catalog No: AG004CGU MDL No:
Product Description
Catalog Number:
AG004CGU
Chemical Name:
Propanedioic acid, methylphenyl-, monoethyl ester, (S)-
CAS Number:
88254-01-7
Molecular Formula:
C12H13O4-
Molecular Weight:
221.2292
IUPAC Name:
(2S)-3-ethoxy-2-methyl-3-oxo-2-phenylpropanoate
InChI:
InChI=1S/C12H14O4/c1-3-16-11(15)12(2,10(13)14)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,13,14)/p-1/t12-/m0/s1
InChI Key:
RDKPEKUJILTPNU-LBPRGKRZSA-M
SMILES:
CCOC(=O)[C@@](c1ccccc1)(C(=O)[O-])C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
221.081g/mol
Formal Charge:
-1
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.232g/mol
Monoisotopic Mass:
221.081g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.