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CAT: 1596-AR-D07195-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D07195-02Size:25 Units
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CAS Number
112913-62-9
Molecular Formula
C9H13NO5
Molecular Weight
215.21
API Name
Dipeptide

Chemical Information

Isobutyl Succinimidyl Carbonate
CAS Number112913-62-9
PubChem CID19911288
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-methylpropyl carbonate
Molecular FormulaC9H13NO5
Molecular Weight215.20
XLogP1
Topological Polar Surface Area72.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count15
Formal Charge0
Complexity270
SMILES
CC(C)COC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C9H13NO5/c1-6(2)5-14-9(13)15-10-7(11)3-4-8(10)12/h6H,3-5H2,1-2H3
InChIKey
LNLUEQNONJYKRK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isobutyl Succinimidyl Carbonate
CAS: 112913-62-9
CID: 19911288
Formula: C9H13NO5
MW: 215.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight215.20
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass215.07937252
Monoisotopic Mass215.07937252
Topological Polar Surface Area72.9 Ų
Heavy Atom Count15
Formal Charge0
Complexity270
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