SUN-B 8155

CAT: 0024-sc-203704ASize: 50 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-203704ASize:50 mg

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CAS Number

345893-91-6

Chemical Information

5-(1-((2-Aminophenyl)imino)ethyl)-1,6-dihydroxy-4-methyl-2(1H)-pyridinone

CAS Number	345893-91-6
PubChem CID	135484493
IUPAC Name	5-[N-(2-aminophenyl)-C-methylcarbonimidoyl]-1,6-dihydroxy-4-methylpyridin-2-one
Molecular Formula	C14H15N3O3
Molecular Weight	273.29
XLogP	0.2
Topological Polar Surface Area	99.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	508

SMILES

CC1=CC(=O)N(C(=C1C(=NC2=CC=CC=C2N)C)O)O

InChI

InChI=1S/C14H15N3O3/c1-8-7-12(18)17(20)14(19)13(8)9(2)16-11-6-4-3-5-10(11)15/h3-7,19-20H,15H2,1-2H3

InChIKey

SGJLINMLDNLWOS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 345893-91-6

CID: 135484493

Formula: C14H15N3O3

MW: 273.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	273.29
XLogP3	0.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	273.11134135
Monoisotopic Mass	273.11134135
Topological Polar Surface Area	99.2 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	508
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes