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87615-50-7 | 1H-Indene-4,6-diol, 2-(diethylamino)-2,3-dihydro-, hydrobromide
CAS No: 87615-50-7 Catalog No: AG004I2I MDL No:
Product Description
Catalog Number:
AG004I2I
Chemical Name:
1H-Indene-4,6-diol, 2-(diethylamino)-2,3-dihydro-, hydrobromide
CAS Number:
87615-50-7
Molecular Formula:
C13H20BrNO2
Molecular Weight:
302.2074
IUPAC Name:
2-(diethylamino)-2,3-dihydro-1H-indene-4,6-diol;hydrobromide
InChI:
InChI=1S/C13H19NO2.BrH/c1-3-14(4-2)10-5-9-6-11(15)8-13(16)12(9)7-10;/h6,8,10,15-16H,3-5,7H2,1-2H3;1H
InChI Key:
YMLATGQWHMXILR-UHFFFAOYSA-N
SMILES:
CCN(C1Cc2c(C1)c(O)cc(c2)O)CC.Br
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.068g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
302.212g/mol
Monoisotopic Mass:
301.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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