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CAS 504-88-1 3-NITROPROPIONIC ACID molecular structure lightbox
CAS RN: 504-88-1

3-NITROPROPIONIC ACID

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260225 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251215 250mg / 500mg / 1g / 5g Confirm by inquiry Shanghai, Chongqing, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260518 100mg In stock Shanghai Inquiry
Batchno.20250314 10g In stock Shanghai, Tianjin Inquiry
Batchno.20250809 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250724 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250606 5g In stock Shanghai, Shenzhen, Chengdu Inquiry
  • Product code: SSC-156932
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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: 0.25g, 1g, 5g, 10g
  • Available purity: ≥95%
  • 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 504-88-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry

504-88-1 / 3-nitropropanoic acid

Standard CAS: 504-88-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
504-88-1
Multi CAS
Yes
Molecular Formula
C3H5NO4
Molecular Weight
119.080000
Exact Mass
119.021858
InChI
InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)
InChIKey
WBLZUCOIBUDNBV-UHFFFAOYSA-N

Physical Properties

Melting Point
145 to 149 °F (NTP, 1992) 68-70 °C 64 - 65 °C
Physical Description
3-nitropropionic acid appears as golden crystals (from chloroform). (NTP, 1992) Golden solid; [CAMEO] Fine faintly beige crystals; Solid
Appearance
Crystals from chloroform
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
24.11
TPSA
80.44

LogP / Solubility

WLOGP
-0.26
MLOGP
-0.24
XLogP3
-0.5
Consensus LogP
-0.33
Log S (ESOL)
-0.22
Class (ESOL)
Very soluble
Log S (Ali)
-0.35
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.58
Class (SILICOS-IT)
Very soluble

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)
-3.63

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

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