QM295

CAT: 0607-C8494-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-C8494-50Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1241046-32-1

Molecular Formula

C17H13NO4

Molecular Weight

295.29

Storage Conditions

Store at -20°C away from light.

Physical Properties

A solid

Chemical Information

(4Z)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one

CAS Number	1241046-32-1
PubChem CID	707314
IUPAC Name	(4Z)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
Molecular Formula	C17H13NO4
Molecular Weight	295.29
XLogP	3.5
Topological Polar Surface Area	68.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	479

SMILES

COC1=C(C=CC(=C1)/C=C\2/C(=NOC2=O)C3=CC=CC=C3)O

InChI

InChI=1S/C17H13NO4/c1-21-15-10-11(7-8-14(15)19)9-13-16(18-22-17(13)20)12-5-3-2-4-6-12/h2-10,19H,1H3/b13-9-

InChIKey

LRCZCFNUNZQGGK-LCYFTJDESA-N

Chemical Structure

2D Structure

CAS: 1241046-32-1

CID: 707314

Formula: C17H13NO4

MW: 295.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	295.29
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	295.08445790
Monoisotopic Mass	295.08445790
Topological Polar Surface Area	68.1 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	479
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
MBS5815657	QM295