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Home > Indoles and Oxindole > 904816-98-4
904816-98-4 | 3,14-DIHYDRO-13-HYDROXY-12H-DIINDOLO[1,2,3-EF
CAS No: 904816-98-4 Catalog No: AG00GV9W MDL No:MFCD07371390
Product Description
Catalog Number:
AG00GV9W
Chemical Name:
3,14-DIHYDRO-13-HYDROXY-12H-DIINDOLO[1,2,3-EF
CAS Number:
904816-98-4
Molecular Formula:
C21H16N2O
Molecular Weight:
312.3645
MDL Number:
MFCD07371390
IUPAC Name:
8,12-diazahexacyclo[10.9.2.02,7.08,22.013,18.019,23]tricosa-1(22),2,4,6,13,15,17,19(23),20-nonaen-10-ol
InChI:
InChI=1S/C21H16N2O/c24-13-11-22-18-7-3-1-5-14(18)16-9-10-17-15-6-2-4-8-19(15)23(12-13)21(17)20(16)22/h1-10,13,24H,11-12H2
InChI Key:
VMJLKCKNBAFPNR-UHFFFAOYSA-N
SMILES:
OC1Cn2c3ccccc3c3c2c2n(C1)c1ccccc1c2cc3
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.126g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.372g/mol
Monoisotopic Mass:
312.126g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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