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710-27-0 | 4-METHYLTHIO-BETA-NITROSTYRENE, >95%
CAS No: 710-27-0 Catalog No: AG00FTJX MDL No:MFCD00176177
Product Description
Catalog Number:
AG00FTJX
Chemical Name:
4-METHYLTHIO-BETA-NITROSTYRENE, >95%
CAS Number:
710-27-0
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
MDL Number:
MFCD00176177
IUPAC Name:
1-methylsulfanyl-4-[(E)-2-nitroethenyl]benzene
InChI:
InChI=1S/C9H9NO2S/c1-13-9-4-2-8(3-5-9)6-7-10(11)12/h2-7H,1H3/b7-6+
InChI Key:
LMSZTOUHOKERPN-VOTSOKGWSA-N
SMILES:
CSc1ccc(cc1)/C=C/[N+](=O)[O-]
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
195.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.236g/mol
Monoisotopic Mass:
195.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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