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102421-84-1

102421-84-1 | Dibenz[a,h]acridine-3,4-diol, 3,4-dihydro-, (3R,4R)-rel-

CAS No: 102421-84-1 Catalog No: AG0007EY MDL No:

Product Description

Catalog Number:
AG0007EY
Chemical Name:
Dibenz[a,h]acridine-3,4-diol, 3,4-dihydro-, (3R,4R)-rel-
CAS Number:
102421-84-1
Molecular Formula:
C21H15NO2
Molecular Weight:
313.3493
IUPAC Name:
(18R,19R)-2-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,21-decaene-18,19-diol
InChI:
InChI=1S/C21H15NO2/c23-19-10-8-15-16(21(19)24)7-9-18-17(15)11-13-6-5-12-3-1-2-4-14(12)20(13)22-18/h1-11,19,21,23-24H/t19-,21-/m1/s1
InChI Key:
JXOBUUFRFLEJJR-TZIWHRDSSA-N
SMILES:
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccc3c(c2n1)cccc3

Properties

Complexity:
506  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
313.11g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
313.356g/mol
Monoisotopic Mass:
313.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

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