IOX 2 50mg

CAT: 0628-A11924-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A11924-50Size:50 mg

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CAS Number

931398-72-0

Chemical Information

N-(1-Benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonyl)glycine

2-[[[4-hydroxy-2-oxo-1-(phenylmethyl)-3-quinolinyl]-oxomethyl]amino]acetic acid is a member of quinolines.

CAS Number	931398-72-0
PubChem CID	54685215
IUPAC Name	2-[(1-benzyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]acetic acid
Molecular Formula	C19H16N2O5
Molecular Weight	352.3
XLogP	2.6
Topological Polar Surface Area	107
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	609

SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O

InChI

InChI=1S/C19H16N2O5/c22-15(23)10-20-18(25)16-17(24)13-8-4-5-9-14(13)21(19(16)26)11-12-6-2-1-3-7-12/h1-9,24H,10-11H2,(H,20,25)(H,22,23)

InChIKey

CAOSCCRYLYQBES-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 931398-72-0

CID: 54685215

Formula: C19H16N2O5

MW: 352.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	352.3
XLogP3	2.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	352.10592162
Monoisotopic Mass	352.10592162
Topological Polar Surface Area	107 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	609
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

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