Isogranulatimide

CAT: 0024-sc-202667Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-202667Size:1 mg

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CAS Number

244148-46-7

Chemical Information

Isogranulatimide

See also: Isogranulatimide (annotation moved to).

CAS Number	244148-46-7
PubChem CID	135418335
IUPAC Name	8-hydroxy-2,4,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one
Molecular Formula	C15H8N4O2
Molecular Weight	276.25
XLogP	0
Topological Polar Surface Area	79.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	21
Formal Charge	0
Complexity	648

SMILES

C1=CC=C2C(=C1)C3=C4C(=C(NC4=O)O)C5=CN=CN5C3=N2

InChI

InChI=1S/C15H8N4O2/c20-14-11-9-5-16-6-19(9)13-10(12(11)15(21)18-14)7-3-1-2-4-8(7)17-13/h1-6,20H,(H,18,21)

InChIKey

KUWAFJHRXZRHJH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 244148-46-7

CID: 135418335

Formula: C15H8N4O2

MW: 276.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	276.25
XLogP3	0
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	276.06472551
Monoisotopic Mass	276.06472551
Topological Polar Surface Area	79.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	648
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

Catalog	Name
HY-112347	Isogranulatimide