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Home > Other Heterocycles > 85010-40-8
85010-40-8 | 8-ethyl-8,9,10-triazabicyclo[4.4.0]deca-1,3,5,9-tetraen-7-ol
CAS No: 85010-40-8 Catalog No: AG0050P8 MDL No:
Product Description
Catalog Number:
AG0050P8
Chemical Name:
8-ethyl-8,9,10-triazabicyclo[4.4.0]deca-1,3,5,9-tetraen-7-ol
CAS Number:
85010-40-8
Molecular Formula:
C9H11N3O
Molecular Weight:
177.2031
IUPAC Name:
3-ethyl-4H-1,2,3-benzotriazin-4-ol
InChI:
InChI=1S/C9H11N3O/c1-2-12-9(13)7-5-3-4-6-8(7)10-11-12/h3-6,9,13H,2H2,1H3
InChI Key:
AMPHWWPMTNCAJG-UHFFFAOYSA-N
SMILES:
CCN1N=Nc2c(C1O)cccc2
NSC Number:
363570
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.207g/mol
Monoisotopic Mass:
177.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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