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146137-98-6 | Benzo[b]thiophene-2-carboxylic acid, 4-methyl-, methyl ester
CAS No: 146137-98-6 Catalog No: AG001DPP MDL No:MFCD13180912
Product Description
Catalog Number:
AG001DPP
Chemical Name:
Benzo[b]thiophene-2-carboxylic acid, 4-methyl-, methyl ester
CAS Number:
146137-98-6
Molecular Formula:
C11H10O2S
Molecular Weight:
206.2609
MDL Number:
MFCD13180912
IUPAC Name:
methyl 4-methyl-1-benzothiophene-2-carboxylate
InChI:
InChI=1S/C11H10O2S/c1-7-4-3-5-9-8(7)6-10(14-9)11(12)13-2/h3-6H,1-2H3
InChI Key:
MXRCGMSSEDWQKY-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc2c(c1)c(C)ccc2
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.259g/mol
Monoisotopic Mass:
206.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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