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88498-76-4 | Azuleno[1,2-b]thiophene-4-carboxylic acid, methyl ester
CAS No: 88498-76-4 Catalog No: AG0049AD MDL No:
Product Description
Catalog Number:
AG0049AD
Chemical Name:
Azuleno[1,2-b]thiophene-4-carboxylic acid, methyl ester
CAS Number:
88498-76-4
Molecular Formula:
C14H10O2S
Molecular Weight:
242.2930
IUPAC Name:
methyl azuleno[1,2-b]thiophene-4-carboxylate
InChI:
InChI=1S/C14H10O2S/c1-16-14(15)12-9-5-3-2-4-6-10(9)13-11(12)7-8-17-13/h2-8H,1H3
InChI Key:
MKZFXZDLELGCET-UHFFFAOYSA-N
SMILES:
COC(=O)c1c2ccsc2c2c1ccccc2
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.04g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.292g/mol
Monoisotopic Mass:
242.04g/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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