Chem
J-GLOBAL ID：200907001090149950
Nikkaji number：J2.775.229B
1β,2β-Dihydroxy-3,5-cyclohexadiene-3-propanoic acid
1β,2β-ジヒドロキシ-3,5-シクロヘキサジエン-3-プロパン酸
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
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
Molecular formula： C9H12O4
Molecular formula furigana： C9-H12-O4
Molecular weight： 184.191
InChI：
InChI=1S/C9H12O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-3,7,9-10,13H,4-5H2,(H,11,12)/t7-,9+/m1/s1
InChI key：
RKDFGWAXBBGKMR-APPZFPTMSA-N
SMILES：
O[C@@H]1C=CC=C(CCC(=O)O)[C@@H]1O
Systematic name (3)：
- 1β,2β-ジヒドロキシ-3,5-シクロヘキサジエン-3-プロパン酸
- 3-[(5R,6S)-5,6-ジヒドロキシシクロヘキサ-1,3-ジエン-1-イル]プロパン酸
- 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dien-1-yl]propanoic acid
- 1β,2β-Dihydroxy-3,5-cyclohexadiene-3-propanoic acid
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