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Home > Nitro Compounds > 889944-45-0
889944-45-0 | 2-HYDROXYMETHYL-6-NITROQUINOLINE
CAS No: 889944-45-0 Catalog No: AG00466J MDL No:
Product Description
Catalog Number:
AG00466J
Chemical Name:
2-HYDROXYMETHYL-6-NITROQUINOLINE
CAS Number:
889944-45-0
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
IUPAC Name:
(6-nitroquinolin-2-yl)methanol
InChI:
InChI=1S/C10H8N2O3/c13-6-8-2-1-7-5-9(12(14)15)3-4-10(7)11-8/h1-5,13H,6H2
InChI Key:
JDYYLMAWYVNLPY-UHFFFAOYSA-N
SMILES:
OCc1ccc2c(n1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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