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41241-36-5 | 1,2,4-Benzenetriol, 5-(2-aminopropyl)-
CAS No: 41241-36-5 Catalog No: AG00129J MDL No:
Product Description
Catalog Number:
AG00129J
Chemical Name:
1,2,4-Benzenetriol, 5-(2-aminopropyl)-
CAS Number:
41241-36-5
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
IUPAC Name:
5-(2-aminopropyl)benzene-1,2,4-triol
InChI:
InChI=1S/C9H13NO3/c1-5(10)2-6-3-8(12)9(13)4-7(6)11/h3-5,11-13H,2,10H2,1H3
InChI Key:
FWNNQQDQXAMXMK-UHFFFAOYSA-N
SMILES:
CC(Cc1cc(O)c(cc1O)O)N
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
183.207g/mol
Monoisotopic Mass:
183.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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