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1- (3-Hydroxypropyl) pyrrole

CAT: 0024-sc-485279Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-485279Size:1 g
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CAS Number
50966-69-3

Chemical Information

1-(3-Hydroxypropyl)pyrrole
CAS Number50966-69-3
PubChem CID12794991
IUPAC Name3-pyrrol-1-ylpropan-1-ol
Molecular FormulaC7H11NO
Molecular Weight125.17
XLogP0.3
Topological Polar Surface Area25.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity69
SMILES
C1=CN(C=C1)CCCO
InChI
InChI=1S/C7H11NO/c9-7-3-6-8-4-1-2-5-8/h1-2,4-5,9H,3,6-7H2
InChIKey
ORCXGLCMROHGOM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3-Hydroxypropyl)pyrrole
CAS: 50966-69-3
CID: 12794991
Formula: C7H11NO
MW: 125.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight125.17
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass125.084063974
Monoisotopic Mass125.084063974
Topological Polar Surface Area25.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity69.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
OR937967-011- (3-Hydroxypropyl) pyrrole
abx1828061-(3-Hydroxypropyl)pyrrole
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