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1169491-14-8 | 5H-Thieno[2,3-c]pyran-3-carboxylic acid, 4,7-dihydro-
CAS No: 1169491-14-8 Catalog No: AG000DEQ MDL No:MFCD17016073
Product Description
Catalog Number:
AG000DEQ
Chemical Name:
5H-Thieno[2,3-c]pyran-3-carboxylic acid, 4,7-dihydro-
CAS Number:
1169491-14-8
Molecular Formula:
C8H8O3S
Molecular Weight:
184.2123
MDL Number:
MFCD17016073
IUPAC Name:
5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid
InChI:
InChI=1S/C8H8O3S/c9-8(10)6-4-12-7-3-11-2-1-5(6)7/h4H,1-3H2,(H,9,10)
InChI Key:
OPMGBYIAUZTFHQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1csc2c1CCOC2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.019g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.209g/mol
Monoisotopic Mass:
184.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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