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146935-39-9 | 9H-Carbazole-1,6-diol, 4-(hydroxymethyl)-7-methyl-8-[3-methyl-3-(3-methylbutyl)-2-oxiranyl]-
CAS No: 146935-39-9 Catalog No: AG001EFV MDL No:
Product Description
Catalog Number:
AG001EFV
Chemical Name:
9H-Carbazole-1,6-diol, 4-(hydroxymethyl)-7-methyl-8-[3-methyl-3-(3-methylbutyl)-2-oxiranyl]-
CAS Number:
146935-39-9
Molecular Formula:
C22H27NO4
Molecular Weight:
369.4541
IUPAC Name:
4-(hydroxymethyl)-7-methyl-8-[3-methyl-3-(3-methylbutyl)oxiran-2-yl]-9H-carbazole-1,6-diol
InChI:
InChI=1S/C22H27NO4/c1-11(2)7-8-22(4)21(27-22)17-12(3)16(26)9-14-18-13(10-24)5-6-15(25)20(18)23-19(14)17/h5-6,9,11,21,23-26H,7-8,10H2,1-4H3
InChI Key:
JFHJFCCMTNIENN-UHFFFAOYSA-N
SMILES:
OCc1ccc(c2c1c1cc(O)c(c(c1[nH]2)C1OC1(C)CCC(C)C)C)O
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.194g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
369.461g/mol
Monoisotopic Mass:
369.194g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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