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88254-02-8 | Propanedioic acid, ethylphenyl-, monomethyl ester, (R)-
CAS No: 88254-02-8 Catalog No: AG004CGT MDL No:
Product Description
Catalog Number:
AG004CGT
Chemical Name:
Propanedioic acid, ethylphenyl-, monomethyl ester, (R)-
CAS Number:
88254-02-8
Molecular Formula:
C12H13O4-
Molecular Weight:
221.2292
IUPAC Name:
(2R)-2-methoxycarbonyl-2-phenylbutanoate
InChI:
InChI=1S/C12H14O4/c1-3-12(10(13)14,11(15)16-2)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,13,14)/p-1/t12-/m1/s1
InChI Key:
PZKVSGUZRFZFAP-GFCCVEGCSA-M
SMILES:
COC(=O)[C@](c1ccccc1)(C(=O)[O-])CC
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
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