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200191-40-8 | Propanedioic acid, 2-[(2E)-1-methyl-3-phenyl-2-propen-1-yl]-, 1,3-dimethyl ester
CAS No: 200191-40-8 Catalog No: AG002CL3 MDL No:
Product Description
Catalog Number:
AG002CL3
Chemical Name:
Propanedioic acid, 2-[(2E)-1-methyl-3-phenyl-2-propen-1-yl]-, 1,3-dimethyl ester
CAS Number:
200191-40-8
Molecular Formula:
C15H18O4
Molecular Weight:
262.3010
IUPAC Name:
dimethyl 2-(4-phenylbut-3-en-2-yl)propanedioate
InChI:
InChI=1S/C15H18O4/c1-11(9-10-12-7-5-4-6-8-12)13(14(16)18-2)15(17)19-3/h4-11,13H,1-3H3
InChI Key:
FQUOZEVDJXQKDV-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(/C=C/c1ccccc1)C)C(=O)OC
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.305g/mol
Monoisotopic Mass:
262.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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