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Home > Nitro Compounds > 88357-22-6
88357-22-6 | Ethanol, 2-[[4-(2-nitro-1-propenyl)phenyl]thio]-
CAS No: 88357-22-6 Catalog No: AG0045OK MDL No:
Product Description
Catalog Number:
AG0045OK
Chemical Name:
Ethanol, 2-[[4-(2-nitro-1-propenyl)phenyl]thio]-
CAS Number:
88357-22-6
Molecular Formula:
C11H13NO3S
Molecular Weight:
239.2908
IUPAC Name:
2-[4-(2-nitroprop-1-enyl)phenyl]sulfanylethanol
InChI:
InChI=1S/C11H13NO3S/c1-9(12(14)15)8-10-2-4-11(5-3-10)16-7-6-13/h2-5,8,13H,6-7H2,1H3
InChI Key:
SJFKXOGGFNMPJK-UHFFFAOYSA-N
SMILES:
OCCSc1ccc(cc1)C=C([N+](=O)[O-])C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.289g/mol
Monoisotopic Mass:
239.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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