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90304-38-4 | 1,2,4-Benzenetriol, 5-(3-aminopropyl)-
CAS No: 90304-38-4 Catalog No: AG006FWY MDL No:
Product Description
Catalog Number:
AG006FWY
Chemical Name:
1,2,4-Benzenetriol, 5-(3-aminopropyl)-
CAS Number:
90304-38-4
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
IUPAC Name:
5-(3-aminopropyl)benzene-1,2,4-triol
InChI:
InChI=1S/C9H13NO3/c10-3-1-2-6-4-8(12)9(13)5-7(6)11/h4-5,11-13H,1-3,10H2
InChI Key:
MRZZHFSRXTYAHK-UHFFFAOYSA-N
SMILES:
NCCCc1cc(O)c(cc1O)O
Properties
Complexity:
154
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:
3
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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