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1026173-90-9 | 4-Thien-3-yl-1H-pyrrole-3-carboxylic acid
CAS No: 1026173-90-9 Catalog No: AG01FBG6 MDL No:
Product Description
Catalog Number:
AG01FBG6
Chemical Name:
4-Thien-3-yl-1H-pyrrole-3-carboxylic acid
CAS Number:
1026173-90-9
Molecular Formula:
C9H7NO2S
Molecular Weight:
193.2224
IUPAC Name:
4-thiophen-3-yl-1H-pyrrole-3-carboxylic acid
InChI:
InChI=1S/C9H7NO2S/c11-9(12)8-4-10-3-7(8)6-1-2-13-5-6/h1-5,10H,(H,11,12)
InChI Key:
OWHUOHUVAKSDDI-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]cc1c1cscc1
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.22g/mol
Monoisotopic Mass:
193.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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