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99933-30-9 | 3-(3,4-dihydroxyphenyl)-1-n-propylpyrrolidine hydrobromide
CAS No: 99933-30-9 Catalog No: AG003VUB MDL No:
Product Description
Catalog Number:
AG003VUB
Chemical Name:
3-(3,4-dihydroxyphenyl)-1-n-propylpyrrolidine hydrobromide
CAS Number:
99933-30-9
Molecular Formula:
C13H20BrNO2
Molecular Weight:
302.2074
IUPAC Name:
4-(1-propylpyrrolidin-3-yl)benzene-1,2-diol;hydrobromide
InChI:
InChI=1S/C13H19NO2.BrH/c1-2-6-14-7-5-11(9-14)10-3-4-12(15)13(16)8-10;/h3-4,8,11,15-16H,2,5-7,9H2,1H3;1H
InChI Key:
ASORCCUCEFNIRT-UHFFFAOYSA-N
SMILES:
CCCN1CCC(C1)c1ccc(c(c1)O)O.Br
Properties
Complexity:
222
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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