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72078-45-6 | 1H-Pyrrole-2-carboxaldehyde, 5-(2-thienyl)-
CAS No: 72078-45-6 Catalog No: AG005DAI MDL No:
Product Description
Catalog Number:
AG005DAI
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 5-(2-thienyl)-
CAS Number:
72078-45-6
Molecular Formula:
C9H7NOS
Molecular Weight:
177.2230
IUPAC Name:
5-thiophen-2-yl-1H-pyrrole-2-carbaldehyde
InChI:
InChI=1S/C9H7NOS/c11-6-7-3-4-8(10-7)9-2-1-5-12-9/h1-6,10H
InChI Key:
KXJJSRMUFORMAT-UHFFFAOYSA-N
SMILES:
O=Cc1ccc([nH]1)c1cccs1
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.221g/mol
Monoisotopic Mass:
177.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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