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145348-26-1 | Cyclopropanecarboxylic acid, 1-[(4-nitrophenyl)sulfonyl]-, methyl ester
CAS No: 145348-26-1 Catalog No: AG001KTS MDL No:
Product Description
Catalog Number:
AG001KTS
Chemical Name:
Cyclopropanecarboxylic acid, 1-[(4-nitrophenyl)sulfonyl]-, methyl ester
CAS Number:
145348-26-1
Molecular Formula:
C11H11NO6S
Molecular Weight:
285.2731
IUPAC Name:
methyl 1-(4-nitrophenyl)sulfonylcyclopropane-1-carboxylate
InChI:
InChI=1S/C11H11NO6S/c1-18-10(13)11(6-7-11)19(16,17)9-4-2-8(3-5-9)12(14)15/h2-5H,6-7H2,1H3
InChI Key:
JPEDHHGXVGENMN-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CC1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.031g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.27g/mol
Monoisotopic Mass:
285.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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