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306936-14-1 | 1H-Pyrrole-3-carboxylic acid, 2,5-dimethyl-1-(2-thienylmethyl)-
CAS No: 306936-14-1 Catalog No: AG0030WZ MDL No:MFCD01567217
Product Description
Catalog Number:
AG0030WZ
Chemical Name:
1H-Pyrrole-3-carboxylic acid, 2,5-dimethyl-1-(2-thienylmethyl)-
CAS Number:
306936-14-1
Molecular Formula:
C12H13NO2S
Molecular Weight:
235.3021
MDL Number:
MFCD01567217
IUPAC Name:
2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylic acid
InChI:
InChI=1S/C12H13NO2S/c1-8-6-11(12(14)15)9(2)13(8)7-10-4-3-5-16-10/h3-6H,7H2,1-2H3,(H,14,15)
InChI Key:
MYRBXKXOHIDTFU-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(n(c1C)Cc1cccs1)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.301g/mol
Monoisotopic Mass:
235.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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