Chem
J-GLOBAL ID：200907040727581229   Nikkaji number：J127.890H

Homovanillic acid methyl ester

ホモバニリン酸メチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C10H12O4
Molecular formula furigana： C10-H12-O4
Molecular weight： 196.202
InChI： InChI=1S/C10H12O4/c1-13-9-5-7(3-4-8(9)11)6-10(12)14-2/h3-5,11H,6H2,1-2H3
InChI key： JJJSFAGPWHEUBT-UHFFFAOYSA-N
SMILES： COC(=O)Cc1ccc(O)c(OC)c1
Systematic name  (5)：
  • 4-ヒドロキシ-3-メトキシベンゼン酢酸メチル
  • 3-メトキシ-4-ヒドロキシベンゼン酢酸メチル
  • (3-メトキシ-4-ヒドロキシフェニル)酢酸メチル
  • メチル 2-(4-ヒドロキシ-3-メトキシフェニル)アセタート
  • methyl 2-(4-hydroxy-3-methoxyphenyl)acetate
Other name (5)：
  • ホモバニリン酸メチル
  • Homovanillic acid methyl ester
  • 4-Hydroxy-3-methoxybenzeneacetic acid methyl ester
  • 3-Methoxy-4-hydroxybenzeneacetic acid methyl ester
  • (3-Methoxy-4-hydroxyphenyl)acetic acid methyl ester
CAS registry number： 15964-80-4
Regulation number (1)：
  • EINECS2401019
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