Basic information
- CAS
7472-67-5- Standard SMILES
COC(C)(C(=O)O)c1ccccc1- InChIKey
PGVVKQANLPHXOW-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Names & identifiers
- Preferred name
- 2-Methoxy-2-phenylpropanoic acid
- IUPAC
- 2-methoxy-2-phenylpropanoic acid
Names & synonyms
2-methoxy-2-phenylpropanoic acid7472-67-5DTXSID60322790RefChem:474181DTXCID50273909974-546-12-methoxy-2-phenyl-propionic acidMFCD00231151NSC402043methoxyphenylpropionic acidSCHEMBL25179382-methoxy-2-phenylpropanoicacid
Show more names
DTXSID20875994PGVVKQANLPHXOW-UHFFFAOYSA-NPROPIONICACID2METHOXY2PHENYLHAA47267AKOS008146682NSC-402043(RS)-2-Methoxy-2-phenyl-propionic acidSY185966
Database identifiers
- CAS
7472-67-5- PubChem CID
- 344895
- DTXSID
DTXSID60322790- EC Number
- 974-546-1
- Nikkaji
- J1.089.112D
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 185
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
1 records
Compound notes
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