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149725-15-5 | [1]Benzothieno[3,2-b]furan-2-carboxylic acid, 3-(2-methyl-1-oxopropoxy)-, methyl ester
CAS No: 149725-15-5 Catalog No: AG001LZA MDL No:
Product Description
Catalog Number:
AG001LZA
Chemical Name:
[1]Benzothieno[3,2-b]furan-2-carboxylic acid, 3-(2-methyl-1-oxopropoxy)-, methyl ester
CAS Number:
149725-15-5
Molecular Formula:
C16H14O5S
Molecular Weight:
318.3444
IUPAC Name:
methyl 3-(2-methylpropanoyloxy)-[1]benzothiolo[3,2-b]furan-2-carboxylate
InChI:
InChI=1S/C16H14O5S/c1-8(2)15(17)21-12-13(16(18)19-3)20-11-9-6-4-5-7-10(9)22-14(11)12/h4-8H,1-3H3
InChI Key:
STCBJZIZCOASHY-UHFFFAOYSA-N
SMILES:
COC(=O)c1oc2c(c1OC(=O)C(C)C)sc1c2cccc1
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.056g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.343g/mol
Monoisotopic Mass:
318.056g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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