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358674-33-6 | 4-[(E)-2-[(quinolin-2-yl)methylidene]hydrazin-1-yl]benzoic acid
CAS No: 358674-33-6 Catalog No: AG00IUVD MDL No:MFCD27924220
Product Description
Catalog Number:
AG00IUVD
Chemical Name:
4-[(E)-2-[(quinolin-2-yl)methylidene]hydrazin-1-yl]benzoic acid
CAS Number:
358674-33-6
Molecular Formula:
C17H13N3O2
Molecular Weight:
291.3040
MDL Number:
MFCD27924220
IUPAC Name:
4-[2-(quinolin-2-ylmethylidene)hydrazinyl]benzoic acid
InChI:
InChI=1S/C17H13N3O2/c21-17(22)13-6-8-14(9-7-13)20-18-11-15-10-5-12-3-1-2-4-16(12)19-15/h1-11,20H,(H,21,22)
InChI Key:
LFKJFFRDGFXBGZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)N/N=C/c1ccc2c(n1)cccc2
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.101g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.31g/mol
Monoisotopic Mass:
291.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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