Home Carboxys 5-(cyclopropylmethyl)thiophene-2-carboxylic acid

5-(cyclopropylmethyl)thiophene-2-carboxylic acid

CAS No.:
1781767-22-3
Catalog Number:
AG01C9JH
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
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Product Description
Catalog Number:
AG01C9JH
Chemical Name:
5-(cyclopropylmethyl)thiophene-2-carboxylic acid
CAS Number:
1781767-22-3
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
MDL Number:
MFCD31451204
IUPAC Name:
5-(cyclopropylmethyl)thiophene-2-carboxylic acid
InChI:
InChI=1S/C9H10O2S/c10-9(11)8-4-3-7(12-8)5-6-1-2-6/h3-4,6H,1-2,5H2,(H,10,11)
InChI Key:
SPLVNLOXIZBXDS-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(s1)CC1CC1
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.04g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.237g/mol
Monoisotopic Mass:
182.04g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties