Chem
J-GLOBAL ID：200907046667886856
Nikkaji number：J79.751K
1α,4β-Cyclohexanedicarboxylic acid
1α,4β-シクロヘキサンジカルボン酸
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： C8H12O4
Molecular formula furigana： C8-H12-O4
Molecular weight： 172.180
InChI：
InChI=1S/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6-
InChI key：
PXGZQGDTEZPERC-IZLXSQMJSA-N
SMILES：
OC(=O)[C@H]1CC[C@@H](CC1)C(=O)O
Systematic name (6)：
- シクロヘキサン-1α,4β-ジカルボン酸
- 1α,4β-シクロヘキサンジカルボン酸
- 1β,4α-シクロヘキサンジカルボン酸
- シクロヘキサン-1β,4α-ジカルボン酸
- (1r,4r)-シクロヘキサン-1,4-ジカルボン酸
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- trans-1,4-Cyclohexanedicarboxylic acid
- trans-1,4-シクロヘキサンジカルボン酸
- trans-シクロヘキサン-1,4-ジカルボン酸
- trans-Cyclohexane-1,4-dicarboxylic acid
- trans-ヘキサヒドロテレフタル酸
Show all
Regulation number (3)：
- (3)-2446
- (3)-2423
- EINECS2106142
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