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Home >> Chemical Listing >> Page 2492 >> Methyl (2S)-amino(1,4-cyclohexadien-1-yl)acetate

Methyl (2S)-amino(1,4-cyclohexadien-1-yl)acetate
[CAS# 754920-13-3]

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Identification
Name Methyl (2S)-amino(1,4-cyclohexadien-1-yl)acetate
Synonyms (S)-methyl 2-amino-2-(cyclohexa-1,4-dien-1-yl)acetate
Molecular Structure CAS#: 754920-13-3, Methyl (2S)-amino(1,4-cyclohexadien-1-yl)acetate
Molecular Formula C9H13NO2
Molecular Weight 167.21
CAS Registry Number 754920-13-3
SMILES COC(=O)[C@H](C1=CCC=CC1)N
InChI 1S/C9H13NO2/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-3,6,8H,4-5,10H2,1H3/t8-/m0/s1
InChIKey ZENSQKXTWLKIKK-QMMMGPOBSA-N
Properties
Density 1.112g/cm3 (Cal.)
Boiling point 234.705°C at 760 mmHg (Cal.)
Flash point 101.027°C (Cal.)
Refractive index 1.525 (Cal.)
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