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92952-81-3 | 4-((3-Hydroxypropyl)amino)-3-nitrophenol
CAS No: 92952-81-3 Catalog No: AG003JTG MDL No:MFCD07368637
Product Description
Catalog Number:
AG003JTG
Chemical Name:
4-((3-Hydroxypropyl)amino)-3-nitrophenol
CAS Number:
92952-81-3
Molecular Formula:
C9H12N2O4
Molecular Weight:
212.2026
MDL Number:
MFCD07368637
IUPAC Name:
4-(3-hydroxypropylamino)-3-nitrophenol
InChI:
InChI=1S/C9H12N2O4/c12-5-1-4-10-8-3-2-7(13)6-9(8)11(14)15/h2-3,6,10,12-13H,1,4-5H2
InChI Key:
VTXBLQLZQLHDIL-UHFFFAOYSA-N
SMILES:
OCCCNc1ccc(cc1[N+](=O)[O-])O
UNII:
X89W3M6X79
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
212.205g/mol
Monoisotopic Mass:
212.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Final report on the safety assessment of amino nitrophenols as used in hair dyes. | International journal of toxicology 20090101 |
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