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Home > Indoles and Oxindole > 16111-07-2
16111-07-2 | 2-(3',3'-Dimethyl-6-nitrospiro[chromene-2,2'-indolin]-1'-yl)ethanol
CAS No: 16111-07-2 Catalog No: AG0032A9 MDL No:MFCD00369031
Product Description
Catalog Number:
AG0032A9
Chemical Name:
2-(3',3'-Dimethyl-6-nitrospiro[chromene-2,2'-indolin]-1'-yl)ethanol
CAS Number:
16111-07-2
Molecular Formula:
C20H20N2O4
Molecular Weight:
352.3838
MDL Number:
MFCD00369031
IUPAC Name:
2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)ethanol
InChI:
InChI=1S/C20H20N2O4/c1-19(2)16-5-3-4-6-17(16)21(11-12-23)20(19)10-9-14-13-15(22(24)25)7-8-18(14)26-20/h3-10,13,23H,11-12H2,1-2H3
InChI Key:
FGJPKPQMQFZPJY-UHFFFAOYSA-N
SMILES:
OCCN1c2ccccc2C(C21C=Cc1c(O2)ccc(c1)[N+](=O)[O-])(C)C
Properties
Complexity:
587
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.142g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.39g/mol
Monoisotopic Mass:
352.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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