3-Hydroxycyclopentan-1-one

CAT: 0127-OR74027-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR74027-01Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

26831-63-0

MDL Number

MFCD22376628

Purity

97%

Smiles

OC1CCC(=O)C1

Chemical Information

3-Hydroxycyclopentanone

CAS Number	26831-63-0
PubChem CID	10796707
IUPAC Name	3-hydroxycyclopentan-1-one
Molecular Formula	C5H8O2
Molecular Weight	100.12
XLogP	-0.6
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	88

SMILES

C1CC(=O)CC1O

InChI

InChI=1S/C5H8O2/c6-4-1-2-5(7)3-4/h4,6H,1-3H2

InChIKey

GULNLSGTYCQLLM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 26831-63-0

CID: 10796707

Formula: C5H8O2

MW: 100.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	100.12
XLogP3	-0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	100.052429494
Monoisotopic Mass	100.052429494
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	88.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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