2-(3-Methoxyphenoxy)-2-methylpropanoic acid

HCID 3781663
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Basic information

CAS
140239-94-7
Standard SMILES
COc1cccc(OC(C)(C)C(=O)O)c1
InChIKey
QJUAQHVOCKJYLS-UHFFFAOYSA-N
Molecular formula
C11H14O4
Average molar mass
210.23 g/mol
Monoisotopic mass
210.08920893

Names & identifiers

Preferred name
2-(3-Methoxyphenoxy)-2-methylpropanoic acid
IUPAC
2-(3-methoxyphenoxy)-2-methylpropanoic acid
English name
AKOS B013940
Molecular formula
C11H14O4
Molecular weight
210.23

Names & synonyms

2-(3-methoxyphenoxy)-2-methylpropanoic acid140239-94-7Propanoic acid, 2-(3-methoxyphenoxy)-2-methyl-2-(3-methoxyphenoxy)-2-methyl-propanoic AcidMFCD03422283SCHEMBL7988206DTXSID10396340QJUAQHVOCKJYLS-UHFFFAOYSA-NALBB-000908BBL014133SBB020808STK347170
Show more names
AKOS B013940CHEMBRDG-BB 3013940ART-CHEM-BB B0139402-(3-methoxyphenoxy)-2-methylpropanoic acid(SALTDATA: FREE)
AKOS000102325AS-37312FM112775DB-0931962-(3-methoxyphenoxy)-2-methylpropionic acidCS-0312900ST45127876F307531

Database identifiers

CAS
140239-94-7
PubChem CID
3781663
DTXSID
DTXSID10396340

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
55.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
15

Physicochemical properties

Boiling point
335.5 · 335.5±17.0 °C(Predicted)
Density
1.157 · 1.157±0.06 g/cm3(Predicted)
pka
3.24 · 3.24±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_class
IRRITANT
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Suppliers8 total

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海马氏化学科技有限公司19916721580 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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