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CAS 1680-36-0 Nonanoic Anhydride molecular structure lightbox
CAS RN: 1680-36-0

Nonanoic Anhydride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260107 5ml / 25ml / 100ml / 500ml Confirm by inquiry Shanghai, Guangdong, Shandong 30 business days Inquiry
  • Product code: SSC-073265
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1680-36-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry

1680-36-0 / nonanoyl nonanoate

Standard CAS: 1680-36-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1680-36-0
Multi CAS
No
Molecular Formula
C18H34O3
Molecular Weight
298.500000
Exact Mass
298.250795
SMILES
CCCCCCCCC(=O)OC(=O)CCCCCCCC
InChI
InChI=1S/C18H34O3/c1-3-5-7-9-11-13-15-17(19)21-18(20)16-14-12-10-8-6-4-2/h3-16H2,1-2H3
InChIKey
PBBAFLCORNAZCD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.89
Rotatable bonds
14
H-bond acceptors
3
Molar refractivity
87.09
TPSA
43.37

LogP / Solubility

WLOGP
5.56
MLOGP
4.9
XLogP3
7
Consensus LogP
5.82
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.89
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501

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