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173541-54-3 | Propanedioic acid, 2-(2-propen-1-yl)-, 1,3-bis(phenylmethyl) ester
CAS No: 173541-54-3 Catalog No: AG001YZX MDL No:
Product Description
Catalog Number:
AG001YZX
Chemical Name:
Propanedioic acid, 2-(2-propen-1-yl)-, 1,3-bis(phenylmethyl) ester
CAS Number:
173541-54-3
Molecular Formula:
C20H20O4
Molecular Weight:
324.3704
IUPAC Name:
dibenzyl 2-prop-1-enylpropanedioate
InChI:
InChI=1S/C20H20O4/c1-2-9-18(19(21)23-14-16-10-5-3-6-11-16)20(22)24-15-17-12-7-4-8-13-17/h2-13,18H,14-15H2,1H3
InChI Key:
NEAYDGBNRIATTM-UHFFFAOYSA-N
SMILES:
C=CCC(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.136g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.376g/mol
Monoisotopic Mass:
324.136g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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