Home Other Building Blocks 2-{4H,6H,7H-thieno[3,2-c]pyran-4-yl}propanoic acid

2-{4H,6H,7H-thieno[3,2-c]pyran-4-yl}propanoic acid

CAS No.:
1803595-63-2
Catalog Number:
AG01BBI9
Molecular Formula:
C10H12O3S
Molecular Weight:
212.2655
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Product Description
Catalog Number:
AG01BBI9
Chemical Name:
2-{4H,6H,7H-thieno[3,2-c]pyran-4-yl}propanoic acid
CAS Number:
1803595-63-2
Molecular Formula:
C10H12O3S
Molecular Weight:
212.2655
MDL Number:
MFCD28954080
IUPAC Name:
2-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)propanoic acid
InChI:
InChI=1S/C10H12O3S/c1-6(10(11)12)9-7-3-5-14-8(7)2-4-13-9/h3,5-6,9H,2,4H2,1H3,(H,11,12)
InChI Key:
XNJKFVMZPSGMFR-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)C1OCCc2c1ccs2
Properties
Complexity:
231  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
212.263g/mol
Monoisotopic Mass:
212.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties