TCO-NHS ester

CAT: 0024-sc-498419BSize: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-498419BSize:1 g

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CAS Number

1191901-33-3

Chemical Information

Cyclooct-4-enyl 2,5-dioxopyrrolidin-1-YL carbonate, (E)-

CAS Number	1191901-33-3
PubChem CID	58490201
IUPAC Name	[(4E)-cyclooct-4-en-1-yl] (2,5-dioxopyrrolidin-1-yl) carbonate
Molecular Formula	C13H17NO5
Molecular Weight	267.28
XLogP	1.9
Topological Polar Surface Area	72.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	19
Formal Charge	0
Complexity	388

SMILES

C1C/C=C/CCC(C1)OC(=O)ON2C(=O)CCC2=O

InChI

InChI=1S/C13H17NO5/c15-11-8-9-12(16)14(11)19-13(17)18-10-6-4-2-1-3-5-7-10/h1-2,10H,3-9H2/b2-1+

InChIKey

OUGQJOKGFAIFAQ-OWOJBTEDSA-N

Chemical Structure

2D Structure

CAS: 1191901-33-3

CID: 58490201

Formula: C13H17NO5

MW: 267.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	267.28
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	267.11067264
Monoisotopic Mass	267.11067264
Topological Polar Surface Area	72.9 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	388
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes