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477762-40-6 | 2-methoxy-6-[(1E)-[2-(quinolin-8-yl)hydrazin-1-ylidene]methyl]phenol hydrochloride
CAS No: 477762-40-6 Catalog No: AG00IR3A MDL No:MFCD06795622
Product Description
Catalog Number:
AG00IR3A
Chemical Name:
2-methoxy-6-[(1E)-[2-(quinolin-8-yl)hydrazin-1-ylidene]methyl]phenol hydrochloride
CAS Number:
477762-40-6
Molecular Formula:
C17H16ClN3O2
Molecular Weight:
329.7808
MDL Number:
MFCD06795622
IUPAC Name:
2-methoxy-6-[(quinolin-1-ium-8-ylhydrazinylidene)methyl]phenol;chloride
InChI:
InChI=1S/C17H15N3O2.ClH/c1-22-15-9-3-6-13(17(15)21)11-19-20-14-8-2-5-12-7-4-10-18-16(12)14;/h2-11,20-21H,1H3;1H
InChI Key:
MWWUTNMTFAJFPD-UHFFFAOYSA-N
SMILES:
COc1cccc(c1O)/C=N/Nc1cccc2c1[nH+]ccc2.[Cl-]
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.093g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
329.784g/mol
Monoisotopic Mass:
329.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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