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76292-76-7 | Propanedioic acid, [(phenylmethylene)amino]-, diethyl ester
CAS No: 76292-76-7 Catalog No: AG005E7O MDL No:
Product Description
Catalog Number:
AG005E7O
Chemical Name:
Propanedioic acid, [(phenylmethylene)amino]-, diethyl ester
CAS Number:
76292-76-7
Molecular Formula:
C14H17NO4
Molecular Weight:
263.2891
IUPAC Name:
diethyl 2-(benzylideneamino)propanedioate
InChI:
InChI=1S/C14H17NO4/c1-3-18-13(16)12(14(17)19-4-2)15-10-11-8-6-5-7-9-11/h5-10,12H,3-4H2,1-2H3
InChI Key:
ICJFUKPEKNXDDZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)N=Cc1ccccc1
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.293g/mol
Monoisotopic Mass:
263.116g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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