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87615-51-8 | 1H-Indene-4,6-diol, 2-(dipropylamino)-2,3-dihydro-, hydrobromide
CAS No: 87615-51-8 Catalog No: AG004I2H MDL No:
Product Description
Catalog Number:
AG004I2H
Chemical Name:
1H-Indene-4,6-diol, 2-(dipropylamino)-2,3-dihydro-, hydrobromide
CAS Number:
87615-51-8
Molecular Formula:
C15H24BrNO2
Molecular Weight:
330.2606
IUPAC Name:
2-(dipropylamino)-2,3-dihydro-1H-indene-4,6-diol;hydrobromide
InChI:
InChI=1S/C15H23NO2.BrH/c1-3-5-16(6-4-2)12-7-11-8-13(17)10-15(18)14(11)9-12;/h8,10,12,17-18H,3-7,9H2,1-2H3;1H
InChI Key:
SJCMIPXBNZRAAV-UHFFFAOYSA-N
SMILES:
CCCN(C1Cc2c(C1)cc(cc2O)O)CCC.Br
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.099g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
330.266g/mol
Monoisotopic Mass:
329.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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