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116140-68-2 | Propanedioic acid, methylphenyl-, monomethyl ester, (S)- (9CI)
CAS No: 116140-68-2 Catalog No: AG000BQ2 MDL No:
Product Description
Catalog Number:
AG000BQ2
Chemical Name:
Propanedioic acid, methylphenyl-, monomethyl ester, (S)- (9CI)
CAS Number:
116140-68-2
Molecular Formula:
C11H11O4-
Molecular Weight:
207.2026
IUPAC Name:
3-methoxy-2-methyl-3-oxo-2-phenylpropanoate
InChI:
InChI=1S/C11H12O4/c1-11(9(12)13,10(14)15-2)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,12,13)/p-1
InChI Key:
FRXAPCDFYITNNA-UHFFFAOYSA-M
SMILES:
COC(=O)[C@@](c1ccccc1)(C(=O)[O-])C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.066g/mol
Formal Charge:
-1
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.205g/mol
Monoisotopic Mass:
207.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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