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101723-21-1 | 2,4-Pentadienoic acid, 5,5-diphenyl-, methyl ester
CAS No: 101723-21-1 Catalog No: AG0005BS MDL No:
Product Description
Catalog Number:
AG0005BS
Chemical Name:
2,4-Pentadienoic acid, 5,5-diphenyl-, methyl ester
CAS Number:
101723-21-1
Molecular Formula:
C18H16O2
Molecular Weight:
264.3184
IUPAC Name:
methyl 5,5-diphenylpenta-2,4-dienoate
InChI:
InChI=1S/C18H16O2/c1-20-18(19)14-8-13-17(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-14H,1H3
InChI Key:
RXSQYCYZFXKHKU-UHFFFAOYSA-N
SMILES:
COC(=O)C=CC=C(c1ccccc1)c1ccccc1
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.115g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.324g/mol
Monoisotopic Mass:
264.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.7
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