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Home > Indoles and Oxindole > 36429-14-8
36429-14-8 | 1,3,3-Trimethyl-2-methylene-5-nitroindoline
CAS No: 36429-14-8 Catalog No: AG0079SW MDL No:
Product Description
Catalog Number:
AG0079SW
Chemical Name:
1,3,3-Trimethyl-2-methylene-5-nitroindoline
CAS Number:
36429-14-8
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
IUPAC Name:
1,3,3-trimethyl-2-methylidene-5-nitroindole
InChI:
InChI=1S/C12H14N2O2/c1-8-12(2,3)10-7-9(14(15)16)5-6-11(10)13(8)4/h5-7H,1H2,2-4H3
InChI Key:
WHFGEAVJRDAMNU-UHFFFAOYSA-N
SMILES:
C=C1N(C)c2c(C1(C)C)cc(cc2)[N+](=O)[O-]
EC Number:
253-029-8
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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