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1169491-11-5 | 5H-Thieno[2,3-c]pyran-3-carboxylic acid, 4,7-dihydro-, ethyl ester
CAS No: 1169491-11-5 Catalog No: AG000DER MDL No:MFCD17016072
Product Description
Catalog Number:
AG000DER
Chemical Name:
5H-Thieno[2,3-c]pyran-3-carboxylic acid, 4,7-dihydro-, ethyl ester
CAS Number:
1169491-11-5
Molecular Formula:
C10H12O3S
Molecular Weight:
212.2655
MDL Number:
MFCD17016072
IUPAC Name:
ethyl 5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
InChI:
InChI=1S/C10H12O3S/c1-2-13-10(11)8-6-14-9-5-12-4-3-7(8)9/h6H,2-5H2,1H3
InChI Key:
FREVQORUYCDGQO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1csc2c1CCOC2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.263g/mol
Monoisotopic Mass:
212.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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