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CAS 14320-37-7 3-CYCLOPENTEN-1-ONE molecular structure lightbox
CAS RN: 14320-37-7

3-CYCLOPENTEN-1-ONE

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2 package records2 with current stock2 grade groups
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Batchno.20251103 1g In stock Shanghai, Hebei Inquiry
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Batchno.20250410 1g In stock Shanghai Inquiry
  • Product code: LINC927357
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14320-37-7 / cyclopent-3-en-1-one

Standard CAS: 14320-37-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14320-37-7
Multi CAS
No
Molecular Formula
C5H6O
Molecular Weight
82.100000
Exact Mass
82.041865
SMILES
C1C=CCC1=O
InChI
InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-2H,3-4H2
InChIKey
KQAVUGAZLAPNJY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
1
Molar refractivity
23.38
TPSA
17.07

LogP / Solubility

WLOGP
0.91
MLOGP
0.78
XLogP3
0.5
Consensus LogP
0.73
Log S (ESOL)
-0.92
Class (ESOL)
Very soluble
Log S (Ali)
-0.89
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.95
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Flammable Irritant
Signal
Warning
GHS Hazard Statements
H226 (66.7%): Flammable liquid and vapor [Warning Flammable liquids] H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

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