Basic information
- CAS
7501-09-9- Standard SMILES
C=CCc1cc(C(=O)O)ccc1OC- InChIKey
LGIGQNDSEONVRB-UHFFFAOYSA-N- Molecular formula
- C11H12O3
- Average molar mass
- 192.21 g/mol
- Monoisotopic mass
- 192.07864424
Names & identifiers
- Preferred name
- 3-Allyl-4-methoxybenzoic acid
- IUPAC
- 4-methoxy-3-prop-2-enylbenzoic acid
- English name
- CHEMBRDG-BB 7022461
- Molecular formula
- C11H12O3
- Molecular weight
- 192.21
Names & synonyms
3-Allyl-4-methoxybenzoic acid7501-09-93-Allyl-4-methoxy-benzoic acid4-methoxy-3-prop-2-enylbenzoic acid4-methoxy-3-(prop-2-en-1-yl)benzoic acidMFCD03312919benzoic acid, 4-methoxy-3-(2-propenyl)-CTK5E0916NSC408074Benzoic acid,4-methoxy-3-(2-propen-1-yl)-3-Allyl-4-methoxybenzoicacidSCHEMBL4982250
Show more names
TIMTEC-BB SBB010868CHEMBRDG-BB 70224614-methoxy-3-prop-2-enyl-benzoic acidBenzoic acid, 4-methoxy-3-(2-propen-1-yl)-3-allyl-4-methoxybenzoic acid(SALTDATA: FREE)
DTXSID10324961LGIGQNDSEONVRB-UHFFFAOYSA-NALBB-029712SBB010868AKOS000301648NSC-408074DA-18499LS-10591
Database identifiers
- CAS
7501-09-9- PubChem CID
- 348644
- DTXSID
DTXSID10324961- EC Number
- 109-508-8
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- form
- solid
- InChI
- 1S/C11H12O3/c1-3-4-8-7-9(11(12)13)5-6-10(8)14-2/h3,5-7H,1,4H2,2H3,(H,12,13)
- InChIKey
- LGIGQNDSEONVRB-UHFFFAOYSA-N
- SMILES
- O=C(O)C1=CC(CC=C)=C(OC)C=C1
- UNSPSC Code
- 12352106 · 12352106
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · WGK 3
- HazardClass
- IRRITANT
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers6 total
Aladdin Scientific[email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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