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N- (2-Hydroxyethyl) -2-pyrrolidone

CAT: 0926-FH38965-01Size: 0.1 KgDry Ice: NoHazardous: No
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CAT#:0926-FH38965-01Size:0.1 Kg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3445-11-2
MDL Number
MFCD00014103
Smiles
OCCN1CCCC1=O
Molecular Formula
C6H11NO2
Molecular Weight
129.16 g/mol
Controlled
No

Chemical Information

1-(2-Hydroxyethyl)-2-pyrrolidinone
CAS Number3445-11-2
PubChem CID76980
IUPAC Name1-(2-hydroxyethyl)pyrrolidin-2-one
Molecular FormulaC6H11NO2
Molecular Weight129.16
XLogP-0.8
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity114
SMILES
C1CC(=O)N(C1)CCO
InChI
InChI=1S/C6H11NO2/c8-5-4-7-3-1-2-6(7)9/h8H,1-5H2
InChIKey
WDQFELCEOPFLCZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Hydroxyethyl)-2-pyrrolidinone
CAS: 3445-11-2
CID: 76980
Formula: C6H11NO2
MW: 129.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight129.16
XLogP3-0.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass129.078978594
Monoisotopic Mass129.078978594
Topological Polar Surface Area40.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity114
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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