Home Other Building Blocks 2-[(1-methoxy-1-oxopropan-2-yl)sulfanyl]benzoic acid

2-[(1-methoxy-1-oxopropan-2-yl)sulfanyl]benzoic acid

CAS No.:
941395-11-5
Catalog Number:
AG019VXF
Molecular Formula:
C11H12O4S
Molecular Weight:
240.2756
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Product Description
Catalog Number:
AG019VXF
Chemical Name:
2-[(1-methoxy-1-oxopropan-2-yl)sulfanyl]benzoic acid
CAS Number:
941395-11-5
Molecular Formula:
C11H12O4S
Molecular Weight:
240.2756
MDL Number:
MFCD09410366
IUPAC Name:
2-(1-methoxy-1-oxopropan-2-yl)sulfanylbenzoic acid
InChI:
InChI=1S/C11H12O4S/c1-7(11(14)15-2)16-9-6-4-3-5-8(9)10(12)13/h3-7H,1-2H3,(H,12,13)
InChI Key:
NSQPVTWCPSPXRF-UHFFFAOYSA-N
SMILES:
COC(=O)C(Sc1ccccc1C(=O)O)C
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.046g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.273g/mol
Monoisotopic Mass:
240.046g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties