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81741-83-5 | 3-Thiophenecarboxylic acid, 4-amino-5-ethyl-
CAS No: 81741-83-5 Catalog No: AG005I5R MDL No:MFCD20658056
Product Description
Catalog Number:
AG005I5R
Chemical Name:
3-Thiophenecarboxylic acid, 4-amino-5-ethyl-
CAS Number:
81741-83-5
Molecular Formula:
C7H9NO2S
Molecular Weight:
171.2169
MDL Number:
MFCD20658056
IUPAC Name:
4-amino-5-ethylthiophene-3-carboxylic acid
InChI:
InChI=1S/C7H9NO2S/c1-2-5-6(8)4(3-11-5)7(9)10/h3H,2,8H2,1H3,(H,9,10)
InChI Key:
FHGGEEAYFMHIHF-UHFFFAOYSA-N
SMILES:
CCc1scc(c1N)C(=O)O
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.035g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
171.214g/mol
Monoisotopic Mass:
171.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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