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23001-29-8

23001-29-8 | Spiro[2H-1-benzopyran-2,2'-[2H]indol]-6-ol, 1',3'-dihydro-1',3',3'-trimethyl-

CAS No: 23001-29-8 Catalog No: AG002LUM MDL No:MFCD00051350

Product Description

Catalog Number:
AG002LUM
Chemical Name:
Spiro[2H-1-benzopyran-2,2'-[2H]indol]-6-ol, 1',3'-dihydro-1',3',3'-trimethyl-
CAS Number:
23001-29-8
Molecular Formula:
C19H19NO2
Molecular Weight:
293.3597
MDL Number:
MFCD00051350
IUPAC Name:
1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-ol
InChI:
InChI=1S/C19H19NO2/c1-18(2)15-6-4-5-7-16(15)20(3)19(18)11-10-13-12-14(21)8-9-17(13)22-19/h4-12,21H,1-3H3
InChI Key:
UHRBDHPBCHWWAG-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)C=CC1(O2)N(C)c2c(C1(C)C)cccc2
NSC Number:
270086

Properties

Complexity:
474  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.142g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
293.366g/mol
Monoisotopic Mass:
293.142g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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