Home Other Building Blocks 2-{4H,5H,7H-thieno[2,3-c]pyran-7-yl}acetic acid

2-{4H,5H,7H-thieno[2,3-c]pyran-7-yl}acetic acid

CAS No.:
1258649-72-7
Catalog Number:
AG01AANZ
Molecular Formula:
C9H10O3S
Molecular Weight:
198.2389
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Product Description
Catalog Number:
AG01AANZ
Chemical Name:
2-{4H,5H,7H-thieno[2,3-c]pyran-7-yl}acetic acid
CAS Number:
1258649-72-7
Molecular Formula:
C9H10O3S
Molecular Weight:
198.2389
MDL Number:
MFCD17167248
IUPAC Name:
2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetic acid
InChI:
InChI=1S/C9H10O3S/c10-8(11)5-7-9-6(1-3-12-7)2-4-13-9/h2,4,7H,1,3,5H2,(H,10,11)
InChI Key:
HUPCAJKSCWGASO-UHFFFAOYSA-N
SMILES:
OC(=O)CC1OCCc2c1scc2
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.035g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
198.236g/mol
Monoisotopic Mass:
198.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties