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Home >> Chemical Listing >> Page 652 >> 3-Thietanyl 3-Aminobenzoate

3-Thietanyl 3-Aminobenzoate
[CAS# 167167-79-5]

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Identification
Name 3-Thietanyl 3-Aminobenzoate
Synonyms 3-Thietanol,3-aminobenzoate; thietan-3-yl 3-aminobenzoate
Molecular Structure CAS#: 167167-79-5, 3-Thietanyl 3-Aminobenzoate
Molecular Formula C10H11NO2S
Molecular Weight 209.26
CAS Registry Number 167167-79-5
SMILES O=C(OC1CSC1)c2cc(N)ccc2
InChI 1S/C10H11NO2S/c11-8-3-1-2-7(4-8)10(12)13-9-5-14-6-9/h1-4,9H,5-6,11H2
InChIKey QRODHUNMWQDESK-UHFFFAOYSA-N
Properties
Density 1.32g/cm3 (Cal.)
Boiling point 397.111°C at 760 mmHg (Cal.)
Flash point 193.966°C (Cal.)
Refractive index 1.634 (Cal.)
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