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20200-59-3 | Spiro[2H-indole-2,3'-[3H]naphtho[2,1-b]pyran], 1,3-dihydro-5-methoxy-1,3,3-trimethyl-
CAS No: 20200-59-3 Catalog No: AG002801 MDL No:
Product Description
Catalog Number:
AG002801
Chemical Name:
Spiro[2H-indole-2,3'-[3H]naphtho[2,1-b]pyran], 1,3-dihydro-5-methoxy-1,3,3-trimethyl-
CAS Number:
20200-59-3
Molecular Formula:
C24H23NO2
Molecular Weight:
357.4449
IUPAC Name:
5'-methoxy-1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole]
InChI:
InChI=1S/C24H23NO2/c1-23(2)20-15-17(26-4)10-11-21(20)25(3)24(23)14-13-19-18-8-6-5-7-16(18)9-12-22(19)27-24/h5-15H,1-4H3
InChI Key:
NQATYCIDEOBKIP-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(C)(C)C1(N2C)C=Cc2c(O1)ccc1c2cccc1
Properties
Complexity:
601
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.173g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.453g/mol
Monoisotopic Mass:
357.173g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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