200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1260109-75-8
1260109-75-8 | Benzo[b]thiophene-2-carboxylic acid, 4-methyl-, ethyl ester
CAS No: 1260109-75-8 Catalog No: AG000QRA MDL No:MFCD23135770
Product Description
Catalog Number:
AG000QRA
Chemical Name:
Benzo[b]thiophene-2-carboxylic acid, 4-methyl-, ethyl ester
CAS Number:
1260109-75-8
Molecular Formula:
C12H12O2S
Molecular Weight:
220.2875
MDL Number:
MFCD23135770
IUPAC Name:
ethyl 4-methyl-1-benzothiophene-2-carboxylate
InChI:
InChI=1S/C12H12O2S/c1-3-14-12(13)11-7-9-8(2)5-4-6-10(9)15-11/h4-7H,3H2,1-2H3
InChI Key:
DMRWQRAYBMLLJE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc2c(c1)c(C)ccc2
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.286g/mol
Monoisotopic Mass:
220.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.