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Heptadecanoic Acid N-Hydroxysuccinimide Ester

CAT: 0572-TRC-H281035-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-H281035-1GSize:1 g
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CAS Number
201472-73-3
Synonyms
Heptadecanoic acid N-hydroxysuccinimide ester, 1-[(1-Oxoheptadecyl)oxy]-2,5-pyrrolidinedione; 2,5-Dioxo-1-pyrrolidinyl Ester Heptadecanoic Acid
Hazard Statement
No Data Available
Smiles
O=C(ON1C(CCC1=O)=O)CCCCCCCCCCCCCCCC
Molecular Formula
C21H37NO4
Molecular Weight
367.53
InChI
InChI=1S/C21H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-22-19(23)17-18-20(22)24/h2-18H2,1H3
Additionnal Information
IUPAC name: 2,5-dioxopyrrolidin-1-yl heptadecanoate
Shipping Conditions
Room Temperature

Chemical Information

Heptadecanoic Acid N-Hydroxysuccinimide Ester
CAS Number201472-73-3
PubChem CID85764502
IUPAC Name(2,5-dioxopyrrolidin-1-yl) heptadecanoate
Molecular FormulaC21H37NO4
Molecular Weight367.5
XLogP7.1
Topological Polar Surface Area63.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count17
Heavy Atom Count26
Formal Charge0
Complexity406
SMILES
CCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C21H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-22-19(23)17-18-20(22)24/h2-18H2,1H3
InChIKey
YJNJZBHIONMSLW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Heptadecanoic Acid N-Hydroxysuccinimide Ester
CAS: 201472-73-3
CID: 85764502
Formula: C21H37NO4
MW: 367.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.5
XLogP37.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count17
Exact Mass367.27225866
Monoisotopic Mass367.27225866
Topological Polar Surface Area63.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity406
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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