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882041-46-5

882041-46-5 | Spiro[3H-indole-3,2'-[2H]pyran]-2,6'(1H,3'H)-dione,1-methyl-

CAS No: 882041-46-5 Catalog No: AG004C3O MDL No:

Product Description

Catalog Number:
AG004C3O
Chemical Name:
Spiro[3H-indole-3,2'-[2H]pyran]-2,6'(1H,3'H)-dione,1-methyl-
CAS Number:
882041-46-5
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
IUPAC Name:
1'-methylspiro[3H-pyran-2,3'-indole]-2',6-dione
InChI:
InChI=1S/C13H11NO3/c1-14-10-6-3-2-5-9(10)13(12(14)16)8-4-7-11(15)17-13/h2-7H,8H2,1H3
InChI Key:
WCRFIPKRABTROM-UHFFFAOYSA-N
SMILES:
O=C1C=CCC2(O1)c1ccccc1N(C2=O)C

Properties

Complexity:
404  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.074g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.235g/mol
Monoisotopic Mass:
229.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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