2-Cyanoacetylpyrrole

CAT: 0024-sc-209163Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-209163Size:250 mg

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CAS Number

90908-89-7

Chemical Information

3-oxo-3-(1H-pyrrol-2-yl)propanenitrile

CAS Number	90908-89-7
PubChem CID	11194355
IUPAC Name	3-oxo-3-(1H-pyrrol-2-yl)propanenitrile
Molecular Formula	C7H6N2O
Molecular Weight	134.14
XLogP	0.8
Topological Polar Surface Area	56.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	179

SMILES

C1=CNC(=C1)C(=O)CC#N

InChI

InChI=1S/C7H6N2O/c8-4-3-7(10)6-2-1-5-9-6/h1-2,5,9H,3H2

InChIKey

LMNWETGSSJEVSH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 90908-89-7

CID: 11194355

Formula: C7H6N2O

MW: 134.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	134.14
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	134.048012819
Monoisotopic Mass	134.048012819
Topological Polar Surface Area	56.7 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	179
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
sc-474673	2-[2- (2,2,2-Trifluoroethoxy) phenoxy]-ethanol
sc-343302	2,2,2-trifluoroethyl 2-furylmethylcarbamate
sc-497106	2,2-Diphenyl-2,2-cyclohexanone
sc-334773	2- (2,2,2-trifluoroethoxy) isonicotinonitrile
sc-334771A	2- (2,2,2-trifluoroethoxy) cyclohexanamine
sc-259156	2- (2,2,2-Trifluoroethoxy) ethanol
sc-322118	2'-Methoxy-2,2,2-trifluoroacetophenone
sc-334770	2- (2,2,2-trifluoroethoxy) aniline
sc-334770A	2- (2,2,2-trifluoroethoxy) aniline
sc-238236A	2,2,2-Trifluoroacetophenone

Catalog	Name
268760-01	2-Cyanoacetylpyrrole
PC1003049-01	2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
PC32719-01	2,2,2,2'-Tetrafluoroacetophenone
H 038-001	2'- , 2''-, 2''', 2'''', 2''''', 2''''''- Hexadeoxy- 2'-, 2'', 2''', 2'''', 2''''', 2''''''- hexafluoro- cyclic hexaadenosine monophosphate (2',2'',2''',2'''',2''''',2''''''-Hexa-F-c-hexadAMP / cFA6), sodium salt
OR1009873-01	2,2,2,2-Ethylenedinitrilotetraethanol
290342-01	2,2,2-Trifluoroethyl 2,5-bis (2,2,2-trifluoroethoxy) benzoate
TRC-T790240-50MG	2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate
TRC-T790200-100MG	2,2,2-Trifluoroethyl 2,5-Bis(2,2,2-trifluoroethoxy)benzoate
D3554-34-01	2’,2’-Difluoro-2’-deoxyuridine (2’-Deoxy-2’,2’-difluorouridine)
MBS6114780-01	2',2'-Difluoro-2'-deoxyuridine (2'-Deoxy-2',2'-difluorouridine)