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132483-77-3 | Propanedioic acid, 2-(4-cyanophenyl)-2-methyl-, 1,3-diethyl ester
CAS No: 132483-77-3 Catalog No: AG0010QO MDL No:
Product Description
Catalog Number:
AG0010QO
Chemical Name:
Propanedioic acid, 2-(4-cyanophenyl)-2-methyl-, 1,3-diethyl ester
CAS Number:
132483-77-3
Molecular Formula:
C15H17NO4
Molecular Weight:
275.2998
IUPAC Name:
diethyl 2-(4-cyanophenyl)-2-methylpropanedioate
InChI:
InChI=1S/C15H17NO4/c1-4-19-13(17)15(3,14(18)20-5-2)12-8-6-11(10-16)7-9-12/h6-9H,4-5H2,1-3H3
InChI Key:
CDMZDCKAZZYJLW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccc(cc1)C#N)(C(=O)OCC)C
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.304g/mol
Monoisotopic Mass:
275.116g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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