Home Other Building Blocks 4-[(3-hydroxypropyl)sulfanyl]benzoic acid

4-[(3-hydroxypropyl)sulfanyl]benzoic acid

CAS No.:
254910-61-7
Catalog Number:
AG01AGQS
Molecular Formula:
C10H12O3S
Molecular Weight:
212.2655
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Product Description
Catalog Number:
AG01AGQS
Chemical Name:
4-[(3-hydroxypropyl)sulfanyl]benzoic acid
CAS Number:
254910-61-7
Molecular Formula:
C10H12O3S
Molecular Weight:
212.2655
MDL Number:
MFCD11647930
IUPAC Name:
4-(3-hydroxypropylsulfanyl)benzoic acid
InChI:
InChI=1S/C10H12O3S/c11-6-1-7-14-9-4-2-8(3-5-9)10(12)13/h2-5,11H,1,6-7H2,(H,12,13)
InChI Key:
NOPGXVRIIXQAIL-UHFFFAOYSA-N
SMILES:
OCCCSc1ccc(cc1)C(=O)O
Properties
Complexity:
176  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
212.263g/mol
Monoisotopic Mass:
212.051g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties