2,4-Thiophenedicarboxylic acid, 5-amino-3-methyl-, dimethyl ester


Chemical Name: 2,4-Thiophenedicarboxylic acid, 5-amino-3-methyl-, dimethyl ester
CAS Number: 103765-33-9
Product Number: AG0085F6(AGN-PC-0JTPDB)
Synonyms:
MDL No:
Molecular Formula: C9H11NO4S
Molecular Weight: 229.2529

Identification/Properties


Computed Properties
Molecular Weight:
229.25g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
229.041g/mol
Monoisotopic Mass:
229.041g/mol
Topological Polar Surface Area:
107A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
271
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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