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17839-66-6

17839-66-6 | Benzoic acid, 2-(2-propen-1-ylthio)-

CAS No: 17839-66-6 Catalog No: AG0025ZJ MDL No:MFCD07368287

Product Description

Catalog Number:
AG0025ZJ
Chemical Name:
Benzoic acid, 2-(2-propen-1-ylthio)-
CAS Number:
17839-66-6
Molecular Formula:
C10H10O2S
Molecular Weight:
194.2502
MDL Number:
MFCD07368287
IUPAC Name:
2-prop-2-enylsulfanylbenzoic acid
InChI:
InChI=1S/C10H10O2S/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h2-6H,1,7H2,(H,11,12)
InChI Key:
HIRIQIRVZSKIBG-UHFFFAOYSA-N
SMILES:
C=CCSc1ccccc1C(=O)O
NSC Number:
99895

Properties

Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.04g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.248g/mol
Monoisotopic Mass:
194.04g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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