Home Carboxys 1,3-Benzenedicarboxylic acid, 4-amino-, diethyl ester

1,3-Benzenedicarboxylic acid, 4-amino-, diethyl ester

CAS No.:
64018-94-6
Catalog Number:
AG00IBB7
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
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Product Description
Catalog Number:
AG00IBB7
Chemical Name:
1,3-Benzenedicarboxylic acid, 4-amino-, diethyl ester
CAS Number:
64018-94-6
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
IUPAC Name:
diethyl 4-aminobenzene-1,3-dicarboxylate
InChI:
InChI=1S/C12H15NO4/c1-3-16-11(14)8-5-6-10(13)9(7-8)12(15)17-4-2/h5-7H,3-4,13H2,1-2H3
InChI Key:
JWELZQZRNUOFHS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)C(=O)OCC)N
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.1g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
237.255g/mol
Monoisotopic Mass:
237.1g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties