2-Propionylpyrrole

CAT: 0024-sc-265906Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-265906Size:1 g

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CAS Number

1073-26-3

Chemical Information

2-Propionylpyrrole

2-Propionylpyrrole is an aromatic ketone.

CAS Number	1073-26-3
PubChem CID	61260
IUPAC Name	1-(1H-pyrrol-2-yl)propan-1-one
Molecular Formula	C7H9NO
Molecular Weight	123.15
XLogP	1.4
Topological Polar Surface Area	32.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	9
Formal Charge	0
Complexity	111

SMILES

CCC(=O)C1=CC=CN1

InChI

InChI=1S/C7H9NO/c1-2-7(9)6-4-3-5-8-6/h3-5,8H,2H2,1H3

InChIKey

AEJPPSRYXGEVDT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1073-26-3

CID: 61260

Formula: C7H9NO

MW: 123.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	123.15
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	123.068413911
Monoisotopic Mass	123.068413911
Topological Polar Surface Area	32.9 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	111
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-209283	2,2,2-Trifluoroethyl 2,5-Bis (2,2,2-trifluoroethoxy) benzoate
sc-209282	2,2,2-Trifluoroethyl 2-Hydroxy-5- (2,2,2-trifluoroethoxy) benzoate
sc-343301A	2,2,2-trifluoroethyl 2-fluorophenylcarbamate
sc-320473	2- (2,2,2-trifluoroethoxy) benzaldehyde
sc-343303A	2,2,2-trifluoroethyl 2-methoxyphenylcarbamate
sc-475858	2- (2,2,2-Trifluoroethoxy) phenol
sc-356285	2- (2,2,2-Trifluoroethoxy) nitrobenzene
sc-474673	2-[2- (2,2,2-Trifluoroethoxy) phenoxy]-ethanol
sc-506736	2'-Amino-2,2,2-trifluoroacetophenone
sc-322118A	2'-Methoxy-2,2,2-trifluoroacetophenone

Catalog	Name
OR936803-01	2-Propionylpyrrole
PC1003049-01	2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
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
PC32719-01	2,2,2,2'-Tetrafluoroacetophenone
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
290343-01	2,2,2-Trifluoroethyl 2-hydroxy-5- (2,2,2-trifluoroethoxy) benzoate
D3554-34-01	2’,2’-Difluoro-2’-deoxyuridine (2’-Deoxy-2’,2’-difluorouridine)