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(Q82757978)
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(1R,6S)-7,7-Dimethylbicyclo[4.1.0]hept-3-ene-3-carboxylic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
carane monoterpenoid
1 reference
based on heuristic
inferred from SMILES
mass
166.099379688
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(1S,6R)-7,7-Dimethylbicyclo[4.1.0]hept-3-ene-3-carboxylic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₀H₁₄O₂
0 references
canonical SMILES
CC1(C)C2CC=C(C(=O)O)CC21
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1([C@@H]2[C@H]1CC(=CC2)C(=O)O)C
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Identifiers
InChI
InChI=1S/C10H14O2/c1-10(2)7-4-3-6(9(11)12)5-8(7)10/h3,7-8H,4-5H2,1-2H3,(H,11,12)/t7-,8+/m0/s1
0 references
InChIKey
CKSIWMCJGLFKSZ-JGVFFNPUSA-N
0 references
CAS Registry Number
554-58-5
1 reference
InChIKey
CKSIWMCJGLFKSZ-JGVFFNPUSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=554-58-5
PubChem CID
71367079
1 reference
matched by identifier from
InChIKey
InChIKey
CKSIWMCJGLFKSZ-JGVFFNPUSA-N
UniChem compound ID
62950559
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10790288
1 reference
matched by identifier from
InChIKey
InChIKey
CKSIWMCJGLFKSZ-JGVFFNPUSA-N
DSSTOX compound identifier
DTXCID90741031
0 references
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