Ramelteon Acrylonitrile

CAT: 1596-AR-R11826-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-R11826-01Size:10 Units

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

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CAS Number

221530-44-5

Synonyms

2- (1,2,6,7-Tetrahydro-8H-indeno[5,4-b]furan-8-ylidene) acetonitrile

Molecular Formula

C13H11NO

Molecular Weight

197.24

API Name

Ramelteon

Chemical Information

1,2,6,7-tetrahydro-8H-indeno-(5,4-B)-furan-8-ylidene acetonitrile

CAS Number	221530-44-5
PubChem CID	11830381
IUPAC Name	(2E)-2-(1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-ylidene)acetonitrile
Molecular Formula	C13H11NO
Molecular Weight	197.23
XLogP	2
Topological Polar Surface Area	33
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	15
Formal Charge	0
Complexity	338

SMILES

C1C/C(=C\C#N)/C2=C1C=CC3=C2CCO3

InChI

InChI=1S/C13H11NO/c14-7-5-10-2-1-9-3-4-12-11(13(9)10)6-8-15-12/h3-5H,1-2,6,8H2/b10-5+

InChIKey

TUFWVKLKUFXARX-BJMVGYQFSA-N

Chemical Structure

2D Structure

CAS: 221530-44-5

CID: 11830381

Formula: C13H11NO

MW: 197.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	197.23
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	197.084063974
Monoisotopic Mass	197.084063974
Topological Polar Surface Area	33 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	338
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
319610	Ramelteon