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Home > Aldehydes > 2059998-85-3
2059998-85-3 | 1-methyl-3-(thiophen-2-yl)-1H-pyrrole-2-carbaldehyde
CAS No: 2059998-85-3 Catalog No: AG01BPAF MDL No:MFCD30500019
Product Description
Catalog Number:
AG01BPAF
Chemical Name:
1-methyl-3-(thiophen-2-yl)-1H-pyrrole-2-carbaldehyde
CAS Number:
2059998-85-3
Molecular Formula:
C10H9NOS
Molecular Weight:
191.2496
MDL Number:
MFCD30500019
IUPAC Name:
1-methyl-3-thiophen-2-ylpyrrole-2-carbaldehyde
InChI:
InChI=1S/C10H9NOS/c1-11-5-4-8(9(11)7-12)10-3-2-6-13-10/h2-7H,1H3
InChI Key:
UPMUUMIPENPEMG-UHFFFAOYSA-N
SMILES:
O=Cc1n(C)ccc1c1cccs1
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.248g/mol
Monoisotopic Mass:
191.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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