Home Carboxys 7-methyl-1-benzothiophene-2-carboxylic acid

7-methyl-1-benzothiophene-2-carboxylic acid

CAS No.:
1505-61-9
Catalog Number:
AG01BBQD
Molecular Formula:
C10H8O2S
Molecular Weight:
192.2343
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Product Description
Catalog Number:
AG01BBQD
Chemical Name:
7-methyl-1-benzothiophene-2-carboxylic acid
CAS Number:
1505-61-9
Molecular Formula:
C10H8O2S
Molecular Weight:
192.2343
MDL Number:
MFCD07377079
IUPAC Name:
7-methyl-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C10H8O2S/c1-6-3-2-4-7-5-8(10(11)12)13-9(6)7/h2-5H,1H3,(H,11,12)
InChI Key:
GRSRVFZGUQIYTP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c(s1)c(C)ccc2
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.025g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.232g/mol
Monoisotopic Mass:
192.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties