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97812-27-6 | Methanol, [1-ethyl-3-(3-pyridinyl)-2-triazenyl]-
CAS No: 97812-27-6 Catalog No: AG00H7EI MDL No:
Product Description
Catalog Number:
AG00H7EI
Chemical Name:
Methanol, [1-ethyl-3-(3-pyridinyl)-2-triazenyl]-
CAS Number:
97812-27-6
Molecular Formula:
C8H12N4O
Molecular Weight:
180.2071
IUPAC Name:
[ethyl-(pyridin-3-yldiazenyl)amino]methanol
InChI:
InChI=1S/C8H12N4O/c1-2-12(7-13)11-10-8-4-3-5-9-6-8/h3-6,13H,2,7H2,1H3
InChI Key:
SQQSWRHMFLEQTG-UHFFFAOYSA-N
SMILES:
CCN(N=Nc1cccnc1)CO
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.101g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.211g/mol
Monoisotopic Mass:
180.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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