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13130-40-0 | 3-Thiophenecarboxylic acid, 2-(acetylamino)-4,5-dimethyl-
CAS No: 13130-40-0 Catalog No: AG000VWD MDL No:MFCD00267631
Product Description
Catalog Number:
AG000VWD
Chemical Name:
3-Thiophenecarboxylic acid, 2-(acetylamino)-4,5-dimethyl-
CAS Number:
13130-40-0
Molecular Formula:
C9H11NO3S
Molecular Weight:
213.2535
MDL Number:
MFCD00267631
IUPAC Name:
2-acetamido-4,5-dimethylthiophene-3-carboxylic acid
InChI:
InChI=1S/C9H11NO3S/c1-4-5(2)14-8(10-6(3)11)7(4)9(12)13/h1-3H3,(H,10,11)(H,12,13)
InChI Key:
INDWVNOSVBJHGZ-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1sc(c(c1C(=O)O)C)C
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.251g/mol
Monoisotopic Mass:
213.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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