SU9516

CAT: 0127-BUP08721-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP08721-02Size:10 mg

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

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CAS Number

377090-84-1

Purity

=90%

Smiles

C(=C\1/C=2C(NC1=O)=CC=C(OC)C2)\C3=CN=CN3

Chemical Information

SU 9516

3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1H-indol-2-one is a member of indoles.

CAS Number	377090-84-1
PubChem CID	5289419
IUPAC Name	(3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1H-indol-2-one
Molecular Formula	C13H11N3O2
Molecular Weight	241.24
XLogP	1
Topological Polar Surface Area	67
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	369

SMILES

COC1=CC\2=C(C=C1)NC(=O)/C2=C\C3=CN=CN3

InChI

InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)/b11-4-

InChIKey

QNUKRWAIZMBVCU-WCIBSUBMSA-N

Chemical Structure

2D Structure

CAS: 377090-84-1

CID: 5289419

Formula: C13H11N3O2

MW: 241.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	241.24
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	241.085126602
Monoisotopic Mass	241.085126602
Topological Polar Surface Area	67 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	369
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