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16331-96-7 | Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-5'-methoxy-1',3',3'-trimethyl-6-nitro-
CAS No: 16331-96-7 Catalog No: AG001U0V MDL No:
Product Description
Catalog Number:
AG001U0V
Chemical Name:
Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-5'-methoxy-1',3',3'-trimethyl-6-nitro-
CAS Number:
16331-96-7
Molecular Formula:
C20H20N2O4
Molecular Weight:
352.3838
IUPAC Name:
5'-methoxy-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
InChI:
InChI=1S/C20H20N2O4/c1-19(2)16-12-15(25-4)6-7-17(16)21(3)20(19)10-9-13-11-14(22(23)24)5-8-18(13)26-20/h5-12H,1-4H3
InChI Key:
YPVXHRMUYMHMIT-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(C)(C)C1(N2C)C=Cc2c(O1)ccc(c2)[N+](=O)[O-]
EC Number:
240-405-1
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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