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Home > Indoles and Oxindole > 4531-83-3
4531-83-3 | 1,2-Propanediol, 3,3-di-1H-indol-3-yl-
CAS No: 4531-83-3 Catalog No: AG006ZOE MDL No:
Product Description
Catalog Number:
AG006ZOE
Chemical Name:
1,2-Propanediol, 3,3-di-1H-indol-3-yl-
CAS Number:
4531-83-3
Molecular Formula:
C19H18N2O2
Molecular Weight:
306.3584
IUPAC Name:
3,3-bis(1H-indol-3-yl)propane-1,2-diol
InChI:
InChI=1S/C19H18N2O2/c22-11-18(23)19(14-9-20-16-7-3-1-5-12(14)16)15-10-21-17-8-4-2-6-13(15)17/h1-10,18-23H,11H2
InChI Key:
OGXNFSOEIVPPSG-UHFFFAOYSA-N
SMILES:
OCC(C(c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2)O
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.137g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
306.365g/mol
Monoisotopic Mass:
306.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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