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Home > Indoles and Oxindole > 106449-15-4
106449-15-4 | 2,3-Butanediol, 1-(1H-indol-3-yl)-3-methyl-, (+)-
CAS No: 106449-15-4 Catalog No: AG0083R6 MDL No:
Product Description
Catalog Number:
AG0083R6
Chemical Name:
2,3-Butanediol, 1-(1H-indol-3-yl)-3-methyl-, (+)-
CAS Number:
106449-15-4
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
IUPAC Name:
1-(1H-indol-3-yl)-3-methylbutane-2,3-diol
InChI:
InChI=1S/C13H17NO2/c1-13(2,16)12(15)7-9-8-14-11-6-4-3-5-10(9)11/h3-6,8,12,14-16H,7H2,1-2H3
InChI Key:
JPRWHAIHJJJQTF-UHFFFAOYSA-N
SMILES:
OC(C(O)(C)C)Cc1c[nH]c2c1cccc2
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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