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119592-85-7 | Propanedioic acid, 2-propyl-, 1,3-bis(phenylmethyl) ester
CAS No: 119592-85-7 Catalog No: AG000P8K MDL No:
Product Description
Catalog Number:
AG000P8K
Chemical Name:
Propanedioic acid, 2-propyl-, 1,3-bis(phenylmethyl) ester
CAS Number:
119592-85-7
Molecular Formula:
C20H22O4
Molecular Weight:
326.3863
IUPAC Name:
dibenzyl 2-propylpropanedioate
InChI:
InChI=1S/C20H22O4/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/h3-8,10-13,18H,2,9,14-15H2,1H3
InChI Key:
BITYVWNBUBOHDE-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.152g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.392g/mol
Monoisotopic Mass:
326.152g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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