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Reference substances

Reference substances

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IUPAC name:
4-[(2-ethylhexyl)amino]-4-oxobut-2-enoic acid

Inventory

EC number:
230-233-5
EC name:
4-[(2-ethylhexyl)amino]-4-oxoisocrotonic acid
CAS number:
6975-33-3
CAS number:
6975-33-3
Synonyms
Names:
2-Butenoic acid, 4-[(2-ethylhexyl)amino]-4-oxo-, (Z)-

Molecular and structural information

Molecular formula:
C12H21NO3
Molecular weight:
227.3
SMILES notation:
CCCCC(CC)CNC(=O)\C=C/C(=O)O
InChl:
InChI=1/C12H21NO3/c1-3-5-6-10(4-2)9-13-11(14)7-8-12(15)16/h7-8,10H,3-6,9H2,1-2H3,(H,13,14)(H,15,16)
Structural formula:
Chemical structure

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