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26018-71-3 | Benzo[b]thiophene-2-carboxylic acid, 2,3-dihydro-6-methyl-
CAS No: 26018-71-3 Catalog No: AG002RE8 MDL No:MFCD08691374
Product Description
Catalog Number:
AG002RE8
Chemical Name:
Benzo[b]thiophene-2-carboxylic acid, 2,3-dihydro-6-methyl-
CAS Number:
26018-71-3
Molecular Formula:
C10H10O2S
Molecular Weight:
194.2502
MDL Number:
MFCD08691374
IUPAC Name:
6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C10H10O2S/c1-6-2-3-7-5-9(10(11)12)13-8(7)4-6/h2-4,9H,5H2,1H3,(H,11,12)
InChI Key:
XTRJFBANXKEVBM-UHFFFAOYSA-N
SMILES:
OC(=O)C1Cc2c(S1)cc(cc2)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.248g/mol
Monoisotopic Mass:
194.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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