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: 25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
102-29-4 / (3-hydroxyphenyl) acetate
RESORCINOL MONOACETATE | Euresol | Remonol
Basic Information
CAS
102-29-4
Multi CAS
Yes
Molecular Formula
C8H8O3
Molecular Weight
152.150000
Exact Mass
152.047344
SMILES
CC(=O)OC1=CC=CC(=C1)O
InChI
InChI=1S/C8H8O3/c1-6(9)11-8-4-2-3-7(10)5-8/h2-5,10H,1H3
InChIKey
ZZPKZRHERLGEKA-UHFFFAOYSA-N
Synonyms
RESORCINOL MONOACETATE
Euresol
Remonol
Acetylresorcinol
3-Acetoxyphenol
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.42
TPSA
46.53
LogP / Solubility
WLOGP
1.32
MLOGP
1.15
XLogP3
1.3
Consensus LogP
1.26
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
Class (SILICOS-IT)
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)
-2.71
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)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H302 (52.6%): Harmful if swallowed [Warning Acute toxicity, oral]
H317 (51.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H318 (51.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, and P501
