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129101-14-0 | Propanedioic acid, 2-[(1S)-1-phenyl-2-propen-1-yl]-, 1,3-dimethyl ester
CAS No: 129101-14-0 Catalog No: AG000YUU MDL No:
Product Description
Catalog Number:
AG000YUU
Chemical Name:
Propanedioic acid, 2-[(1S)-1-phenyl-2-propen-1-yl]-, 1,3-dimethyl ester
CAS Number:
129101-14-0
Molecular Formula:
C14H16O4
Molecular Weight:
248.2744
IUPAC Name:
dimethyl 2-[(1S)-1-phenylprop-2-enyl]propanedioate
InChI:
InChI=1S/C14H16O4/c1-4-11(10-8-6-5-7-9-10)12(13(15)17-2)14(16)18-3/h4-9,11-12H,1H2,2-3H3/t11-/m1/s1
InChI Key:
BVCOQEGIAVLJDW-LLVKDONJSA-N
SMILES:
COC(=O)C([C@@H](c1ccccc1)C=C)C(=O)OC
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
248.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.278g/mol
Monoisotopic Mass:
248.105g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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