Home Other Building Blocks 3-(prop-2-yn-1-ylsulfanyl)benzoic acid

3-(prop-2-yn-1-ylsulfanyl)benzoic acid

CAS No.:
1339485-38-9
Catalog Number:
AG019Z6K
Molecular Formula:
C10H8O2S
Molecular Weight:
192.2343
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Product Description
Catalog Number:
AG019Z6K
Chemical Name:
3-(prop-2-yn-1-ylsulfanyl)benzoic acid
CAS Number:
1339485-38-9
Molecular Formula:
C10H8O2S
Molecular Weight:
192.2343
MDL Number:
MFCD19666533
IUPAC Name:
3-prop-2-ynylsulfanylbenzoic acid
InChI:
InChI=1S/C10H8O2S/c1-2-6-13-9-5-3-4-8(7-9)10(11)12/h1,3-5,7H,6H2,(H,11,12)
InChI Key:
GQMDRCWQRMEHAZ-UHFFFAOYSA-N
SMILES:
C#CCSc1cccc(c1)C(=O)O
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.025g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.232g/mol
Monoisotopic Mass:
192.025g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties