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823804-62-2 | 1,3-Benzenediol, 5-[(1E)-2-[4-(methylthio)phenyl]ethenyl]-
CAS No: 823804-62-2 Catalog No: AG005CWI MDL No:
Product Description
Catalog Number:
AG005CWI
Chemical Name:
1,3-Benzenediol, 5-[(1E)-2-[4-(methylthio)phenyl]ethenyl]-
CAS Number:
823804-62-2
Molecular Formula:
C15H14O2S
Molecular Weight:
258.3355
IUPAC Name:
5-[2-(4-methylsulfanylphenyl)ethenyl]benzene-1,3-diol
InChI:
InChI=1S/C15H14O2S/c1-18-15-6-4-11(5-7-15)2-3-12-8-13(16)10-14(17)9-12/h2-10,16-17H,1H3
InChI Key:
RRIVRAHXRAVZOP-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)/C=C/c1cc(O)cc(c1)O
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.071g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.335g/mol
Monoisotopic Mass:
258.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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