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89241-38-3

89241-38-3 | 4H-Furo[3,4-b]indole, 1,3-dimethyl-4-(phenylsulfonyl)-

CAS No: 89241-38-3 Catalog No: AG00449A MDL No:

Product Description

Catalog Number:
AG00449A
Chemical Name:
4H-Furo[3,4-b]indole, 1,3-dimethyl-4-(phenylsulfonyl)-
CAS Number:
89241-38-3
Molecular Formula:
C18H15NO3S
Molecular Weight:
325.3816
IUPAC Name:
4-(benzenesulfonyl)-1,3-dimethylfuro[3,4-b]indole
InChI:
InChI=1S/C18H15NO3S/c1-12-17-15-10-6-7-11-16(15)19(18(17)13(2)22-12)23(20,21)14-8-4-3-5-9-14/h3-11H,1-2H3
InChI Key:
QBCCASYEPMKURP-UHFFFAOYSA-N
SMILES:
Cc1oc(c2c1c1ccccc1n2S(=O)(=O)c1ccccc1)C

Properties

Complexity:
537  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.077g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.382g/mol
Monoisotopic Mass:
325.077g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  

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