Carboplatin Impurity 21

CAT: 1299-RM-C021621-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C021621-01Size:10 mg

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CAS Number

3721-95-7

Synonyms

Cyclobutanecarboxylic acid

Molecular Formula

C5H8O2

Molecular Weight

100.12

Target Alternative Name

Carboplatin

Product Name Synonym

Cyclobutanecarboxylic acid

Chemical Information

Cyclobutanecarboxylic acid

CAS Number	3721-95-7
PubChem CID	19494
IUPAC Name	cyclobutanecarboxylic acid
Molecular Formula	C5H8O2
Molecular Weight	100.12
XLogP	0.8
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	7
Formal Charge	0
Complexity	84

SMILES

C1CC(C1)C(=O)O

InChI

InChI=1S/C5H8O2/c6-5(7)4-2-1-3-4/h4H,1-3H2,(H,6,7)

InChIKey

TXWOGHSRPAYOML-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3721-95-7

CID: 19494

Formula: C5H8O2

MW: 100.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	100.12
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	100.052429494
Monoisotopic Mass	100.052429494
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	84.1
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