Home Carboxys 3-(cyclopropanecarbonyl)thiophene-2-carboxylic acid

3-(cyclopropanecarbonyl)thiophene-2-carboxylic acid

CAS No.:
1934762-42-1
Catalog Number:
AG01DIQD
Molecular Formula:
C9H8O3S
Molecular Weight:
196.2230
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Product Description
Catalog Number:
AG01DIQD
Chemical Name:
3-(cyclopropanecarbonyl)thiophene-2-carboxylic acid
CAS Number:
1934762-42-1
Molecular Formula:
C9H8O3S
Molecular Weight:
196.2230
MDL Number:
MFCD28991892
IUPAC Name:
3-(cyclopropanecarbonyl)thiophene-2-carboxylic acid
InChI:
InChI=1S/C9H8O3S/c10-7(5-1-2-5)6-3-4-13-8(6)9(11)12/h3-5H,1-2H2,(H,11,12)
InChI Key:
NQJMWHKWVCLTPM-UHFFFAOYSA-N
SMILES:
O=C(c1ccsc1C(=O)O)C1CC1
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.019g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.22g/mol
Monoisotopic Mass:
196.019g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties