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76575-77-4 | 3-Thiophenecarboxylic acid, 4-amino-2,5-dimethyl-, methyl ester
CAS No: 76575-77-4 Catalog No: AG005KGL MDL No:MFCD20693700
Product Description
Catalog Number:
AG005KGL
Chemical Name:
3-Thiophenecarboxylic acid, 4-amino-2,5-dimethyl-, methyl ester
CAS Number:
76575-77-4
Molecular Formula:
C8H11NO2S
Molecular Weight:
185.2434
MDL Number:
MFCD20693700
IUPAC Name:
methyl 4-amino-2,5-dimethylthiophene-3-carboxylate
InChI:
InChI=1S/C8H11NO2S/c1-4-6(8(10)11-3)7(9)5(2)12-4/h9H2,1-3H3
InChI Key:
CXZNBGBBZGLIHB-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)sc(c1N)C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.241g/mol
Monoisotopic Mass:
185.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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