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17792-05-1

17792-05-1 | 6H-Dibenzo[b,d]pyran-3-ol, 7,8,9,10-tetrahydro-6,6-dimethyl-4-(4-morpholinylmethyl)-

CAS No: 17792-05-1 Catalog No: AG0025ML MDL No:

Product Description

Catalog Number:
AG0025ML
Chemical Name:
6H-Dibenzo[b,d]pyran-3-ol, 7,8,9,10-tetrahydro-6,6-dimethyl-4-(4-morpholinylmethyl)-
CAS Number:
17792-05-1
Molecular Formula:
C20H27NO3
Molecular Weight:
329.4333
IUPAC Name:
6,6-dimethyl-4-(morpholin-4-ylmethyl)-7,8,9,10-tetrahydrobenzo[c]chromen-3-ol
InChI:
InChI=1S/C20H27NO3/c1-20(2)17-6-4-3-5-14(17)15-7-8-18(22)16(19(15)24-20)13-21-9-11-23-12-10-21/h7-8,22H,3-6,9-13H2,1-2H3
InChI Key:
BSAHUOGGVKKSJD-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1CN1CCOCC1)OC(C1=C2CCCC1)(C)C
NSC Number:
113783

Properties

Complexity:
495  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.199g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
329.44g/mol
Monoisotopic Mass:
329.199g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

Literature

Title Journal
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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