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Home >> Chemical Listing >> Page 941 >> 4-{[(2S)-2-Butanyloxy]Carbonyl}Benzoic Acid

4-{[(2S)-2-Butanyloxy]Carbonyl}Benzoic Acid
[CAS# 221024-64-2]

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Identification
Name 4-{[(2S)-2-Butanyloxy]Carbonyl}Benzoic Acid
Synonyms (S)-4-(sec-butoxycarbonyl)benzoic acid
Molecular Structure CAS#: 221024-64-2, 4-{[(2S)-2-Butanyloxy]Carbonyl}Benzoic Acid
Molecular Formula C12H14O4
Molecular Weight 222.24
CAS Registry Number 221024-64-2
SMILES CC[C@H](C)OC(=O)c1ccc(cc1)C(=O)O
InChI 1S/C12H14O4/c1-3-8(2)16-12(15)10-6-4-9(5-7-10)11(13)14/h4-8H,3H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKey AGRGCFVROXKOHF-QMMMGPOBSA-N
Properties
Density 1.171g/cm3 (Cal.)
Boiling point 358.648°C at 760 mmHg (Cal.)
Flash point 135.966°C (Cal.)
Refractive index 1.532 (Cal.)
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