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Home > Nitro Compounds > 66398-64-9
66398-64-9 | 2-Pyrrolidinemethanol, 1-nitroso-, 4-methylbenzenesulfonate (ester)
CAS No: 66398-64-9 Catalog No: AG00FXR8 MDL No:
Product Description
Catalog Number:
AG00FXR8
Chemical Name:
2-Pyrrolidinemethanol, 1-nitroso-, 4-methylbenzenesulfonate (ester)
CAS Number:
66398-64-9
IUPAC Name:
(1-nitrosopyrrolidin-2-yl)methyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C12H16N2O4S/c1-10-4-6-12(7-5-10)19(16,17)18-9-11-3-2-8-14(11)13-15/h4-7,11H,2-3,8-9H2,1H3
InChI Key:
VZAJBRLBQNECNI-UHFFFAOYSA-N
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.083g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.33g/mol
Monoisotopic Mass:
284.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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