Carboplatin Impurity 27

CAT: 1299-RM-C021627-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C021627-01Size:10 mg

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CAS Number

28246-87-9

Synonyms

Ethyl 1-cyanocyclobutane-1-carboxylate

Molecular Formula

C8H11NO2

Molecular Weight

153.18

Target Alternative Name

Carboplatin

Product Name Synonym

Ethyl 1-cyanocyclobutane-1-carboxylate

Chemical Information

Ethyl 1-cyanocyclobutane-1-carboxylate

CAS Number	28246-87-9
PubChem CID	275343
IUPAC Name	ethyl 1-cyanocyclobutane-1-carboxylate
Molecular Formula	C8H11NO2
Molecular Weight	153.18
XLogP	1.3
Topological Polar Surface Area	50.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	209

SMILES

CCOC(=O)C1(CCC1)C#N

InChI

InChI=1S/C8H11NO2/c1-2-11-7(10)8(6-9)4-3-5-8/h2-5H2,1H3

InChIKey

VPAQDMAYKQBDLT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 28246-87-9

CID: 275343

Formula: C8H11NO2

MW: 153.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	153.18
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	153.078978594
Monoisotopic Mass	153.078978594
Topological Polar Surface Area	50.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	209
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes