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Home > Indoles and Oxindole > 1498-89-1
1498-89-1 | Spiro[2H-1-benzopyran-2,2'-[2H]indole],1',3'-dihydro-8-methoxy-1',3',3'-trimethyl-6-nitro-
CAS No: 1498-89-1 Catalog No: AG007XW2 MDL No:
Product Description
Catalog Number:
AG007XW2
Chemical Name:
Spiro[2H-1-benzopyran-2,2'-[2H]indole],1',3'-dihydro-8-methoxy-1',3',3'-trimethyl-6-nitro-
CAS Number:
1498-89-1
Molecular Formula:
C20H20N2O4
Molecular Weight:
352.3838
IUPAC Name:
8-methoxy-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
InChI:
InChI=1S/C20H20N2O4/c1-19(2)15-7-5-6-8-16(15)21(3)20(19)10-9-13-11-14(22(23)24)12-17(25-4)18(13)26-20/h5-12H,1-4H3
InChI Key:
IZDVWQPIYXTGIF-UHFFFAOYSA-N
SMILES:
COc1cc(cc2c1OC1(C=C2)N(C)c2c(C1(C)C)cccc2)[N+](=O)[O-]
EC Number:
216-103-0
NSC Number:
206175
Properties
Complexity:
601
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:
0
Isotope Atom Count:
0
Molecular Weight:
352.39g/mol
Monoisotopic Mass:
352.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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