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102236-72-6 | Propanenitrile, 3-[(4-methoxyphenyl)thio]-
CAS No: 102236-72-6 Catalog No: AG000704 MDL No:MFCD11134672
Product Description
Catalog Number:
AG000704
Chemical Name:
Propanenitrile, 3-[(4-methoxyphenyl)thio]-
CAS Number:
102236-72-6
Molecular Formula:
C10H11NOS
Molecular Weight:
193.2654
MDL Number:
MFCD11134672
IUPAC Name:
3-(4-methoxyphenyl)sulfanylpropanenitrile
InChI:
InChI=1S/C10H11NOS/c1-12-9-3-5-10(6-4-9)13-8-2-7-11/h3-6H,2,8H2,1H3
InChI Key:
OFZISNCXBQYGRE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)SCCC#N
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.264g/mol
Monoisotopic Mass:
193.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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