2-(2,3-Dimethylphenoxy)-2-methylpropanoic acid

HCID 1532013
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Basic information

CAS
667440-80-4
Standard SMILES
Cc1cccc(OC(C)(C)C(=O)O)c1C
InChIKey
BVMJEFFWDAOAAU-UHFFFAOYSA-N
Molecular formula
C12H16O3
Average molar mass
208.25 g/mol
Monoisotopic mass
208.10994437

Names & identifiers

Preferred name
2-(2,3-Dimethylphenoxy)-2-methylpropanoic acid
IUPAC
2-(2,3-dimethylphenoxy)-2-methylpropanoic acid
English name
2-(2,3-Dimethyl-phenoxy)-2-methyl-propionic acid
Molecular formula
C12H16O3
Molecular weight
208.25

Names & synonyms

2-(2,3-dimethylphenoxy)-2-methylpropanoic acid667440-80-42-(2,3-Dimethyl-phenoxy)-2-methyl-propionic acidMFCD03422275SCHEMBL659739DTXSID20364171BVMJEFFWDAOAAU-UHFFFAOYSA-NALBB-000894SBB018092STK317930AKOS000103359VS-03810
Show more names
AKOS B013925CHEMBRDG-BB 3013925ART-CHEM-BB B013925ASINEX-REAG BAS 13522286Propanoic acid, 2-(2,3-dimethylphenoxy)-2-methyl-2-(2,3-dimethylphenoxy)-2-methylpropanoic acid(SALTDATA: FREE)
DB-027984CS-0315692ST503342452-(2,3-dimethylphenoxy)-2-methylpropanoicacidH211812-(2,3-dimethylphenoxy)-2-methylpropionic acid2-(2,3-dimethylphenoxy)-2-methyl-propanoic acidF059932

Database identifiers

CAS
667440-80-4
PubChem CID
1532013
DTXSID
DTXSID20364171

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
15

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338
Hazard Codes
Xi
HazardClass
IRRITANT

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_class
IRRITANT
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers4 total

江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]

Related reactions

9 records
New reaction record

Compound notes

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