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151258-67-2 | 3-Thiophenecarboxylic acid, 5-methyl-2-(1H-pyrrol-1-yl)-
CAS No: 151258-67-2 Catalog No: AG001N7B MDL No:MFCD01108779
Product Description
Catalog Number:
AG001N7B
Chemical Name:
3-Thiophenecarboxylic acid, 5-methyl-2-(1H-pyrrol-1-yl)-
CAS Number:
151258-67-2
Molecular Formula:
C10H9NO2S
Molecular Weight:
207.2490
MDL Number:
MFCD01108779
IUPAC Name:
5-methyl-2-pyrrol-1-ylthiophene-3-carboxylic acid
InChI:
InChI=1S/C10H9NO2S/c1-7-6-8(10(12)13)9(14-7)11-4-2-3-5-11/h2-6H,1H3,(H,12,13)
InChI Key:
GHQHUPKIJXQWKT-UHFFFAOYSA-N
SMILES:
Cc1cc(c(s1)n1cccc1)C(=O)O
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.247g/mol
Monoisotopic Mass:
207.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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