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72487-30-0 | 2-Butenedioic acid, 2,3-diphenyl-, dimethyl ester, (E)-
CAS No: 72487-30-0 Catalog No: AG005H11 MDL No:
Product Description
Catalog Number:
AG005H11
Chemical Name:
2-Butenedioic acid, 2,3-diphenyl-, dimethyl ester, (E)-
CAS Number:
72487-30-0
Molecular Formula:
C18H16O4
Molecular Weight:
296.3172
IUPAC Name:
dimethyl 2,3-diphenylbut-2-enedioate
InChI:
InChI=1S/C18H16O4/c1-21-17(19)15(13-9-5-3-6-10-13)16(18(20)22-2)14-11-7-4-8-12-14/h3-12H,1-2H3
InChI Key:
JOOQAQATHFFERE-UHFFFAOYSA-N
SMILES:
COC(=O)/C(=C(\c1ccccc1)/C(=O)OC)/c1ccccc1
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.105g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.322g/mol
Monoisotopic Mass:
296.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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