Home Other Building Blocks 4-[(2-oxooxolan-3-yl)sulfanyl]benzoic acid

4-[(2-oxooxolan-3-yl)sulfanyl]benzoic acid

CAS No.:
1098379-73-7
Catalog Number:
AG01A1BB
Molecular Formula:
C11H10O4S
Molecular Weight:
238.2597
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Product Description
Catalog Number:
AG01A1BB
Chemical Name:
4-[(2-oxooxolan-3-yl)sulfanyl]benzoic acid
CAS Number:
1098379-73-7
Molecular Formula:
C11H10O4S
Molecular Weight:
238.2597
MDL Number:
MFCD11647932
IUPAC Name:
4-(2-oxooxolan-3-yl)sulfanylbenzoic acid
InChI:
InChI=1S/C11H10O4S/c12-10(13)7-1-3-8(4-2-7)16-9-5-6-15-11(9)14/h1-4,9H,5-6H2,(H,12,13)
InChI Key:
PCYBGEKXCCDMAU-UHFFFAOYSA-N
SMILES:
O=C1OCCC1Sc1ccc(cc1)C(=O)O
Properties
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.03g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
238.257g/mol
Monoisotopic Mass:
238.03g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties