Vitas-M small molecule compound

(4-butoxyphenyl)acetic acid

Catalog ID
STK893900
SMILES CCCCOc1ccc(cc1)CC(=O)O

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C12H16O3 MW 208.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16O3/c1-2-3-8-15-11-6-4-10(5-7-11)9-12(13)14/h4-7H,2-3,8-9H2,1H3,(H,13,14)
InChIKey
KLJMYYFCWBVKEE-UHFFFAOYSA-N
Synonyms
4547-57-3
(4butoxyphenyl)aceticacid
(PBUTOXYPHENYL)ACETICACID
2(4BUTOXYPHENYL)ACETICACID
4(NBUTOXY)PHENYLACETICACID
4(NBUTOXYPHENYL)ACETICACID
4547573
4BUTOXYBENZENEACETICACID
4BUTOXYPHENYLACETICACID
4NBUTOXYPHENYLACETICACID
ACETICACID(PBUTOXYPHENYL)
BENZENEACETICACID4BUTOXY
BENZENEACETICACID4BUTOXY(9CI)
CCCCOC1=CC=C(C=C1)CC(=O)O
InChI=1SC12H16O3c123815116410(5711)912(13)14h47H2389H21H3(H1314)
MFCD00016832
P(BUTOXYPHENYL)ACETICACID
PBUTOXYPHENYLACETICACID
ZINC000002022916
ZINC2022916

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.