Chem
J-GLOBAL ID：200907066033823780
Nikkaji number：J589.855B
(E)-3-(2,2-Dimethyl-2H-1-benzopyran-6-yl)propenoic acid
(E)-3-(2,2-ジメチル-2H-1-ベンゾピラン-6-イル)プロペン酸
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： C14H14O3
Molecular formula furigana： C14-H14-O3
Molecular weight： 230.263
InChI：
InChI=1S/C14H14O3/c1-14(2)8-7-11-9-10(4-6-13(15)16)3-5-12(11)17-14/h3-9H,1-2H3,(H,15,16)/b6-4+
InChI key：
IHRUERBZEZCICE-GQCTYLIASA-N
SMILES：
CC1(C)Oc2ccc(/C=C/C(=O)O)cc2C=C1
Systematic name (3)：
- (E)-3-(2,2-ジメチル-2H-1-ベンゾピラン-6-イル)プロペン酸
- (2E)-3-(2,2-ジメチル-2H-クロメン-6-イル)プロパ-2-エン酸
- (2E)-3-(2,2-dimethyl-2H-chromen-6-yl)prop-2-enoic acid
- (E)-3-(2,2-Dimethyl-2H-1-benzopyran-6-yl)propenoic acid
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