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(4-Alanylphenyl)acetic acid
[CAS# 806595-80-2]

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Identification
Name (4-Alanylphenyl)acetic acid
Synonyms 2-(4-(2-aminopropanoyl)phenyl)acetic acid; BENZENEACETICACID, 4-(2-AMINO-1-OXOPROPYL)-
Molecular Structure CAS#: 806595-80-2, (4-Alanylphenyl)acetic acid
Molecular Formula C11H13NO3
Molecular Weight 207.23
CAS Registry Number 806595-80-2
SMILES CC(C(=O)c1ccc(cc1)CC(=O)O)N
InChI 1S/C11H13NO3/c1-7(12)11(15)9-4-2-8(3-5-9)6-10(13)14/h2-5,7H,6,12H2,1H3,(H,13,14)
InChIKey PGBZDKRRUJWCPJ-UHFFFAOYSA-N
Properties
Density 1.226g/cm3 (Cal.)
Boiling point 414.698°C at 760 mmHg (Cal.)
Flash point 204.602°C (Cal.)
Refractive index 1.571 (Cal.)
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