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111238-25-6

111238-25-6 | Indeno[7',1':6,7,8]phenanthro[3,4-b]oxirene-2,3-diol, 1a,2,3,6,7,11c-hexahydro-, (1aα,2β,3α,11cα)- (9CI)

CAS No: 111238-25-6 Catalog No: AG000IAT MDL No:

Product Description

Catalog Number:
AG000IAT
Chemical Name:
Indeno[7',1':6,7,8]phenanthro[3,4-b]oxirene-2,3-diol, 1a,2,3,6,7,11c-hexahydro-, (1aα,2β,3α,11cα)- (9CI)
CAS Number:
111238-25-6
IUPAC Name:
(6S,7R,8R,10S)-9-oxahexacyclo[12.6.1.02,12.05,11.08,10.018,21]henicosa-1(21),2(12),3,5(11),13,15,17-heptaene-6,7-diol
InChI:
InChI=1S/C20H16O3/c21-17-13-7-6-11-12-5-4-9-2-1-3-10(15(9)12)8-14(11)16(13)19-20(23-19)18(17)22/h1-3,6-8,17-22H,4-5H2/t17-,18+,19-,20+/m0/s1
InChI Key:
BQXVUFNOKKHIKA-ZGXWSNOMSA-N

Properties

Complexity:
507  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
304.11g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
304.345g/mol
Monoisotopic Mass:
304.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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