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(Q83012902)
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English
Oxiranemethanol, 3-methyl-, 4-nitrobenzoate, (2S-trans)-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(3-Methyloxiran-2-yl)methyl 4-nitrobenzoate
1 reference
based on heuristic
inferred from SMILES
mass
237.063722452
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₁NO₅
0 references
canonical SMILES
CC1OC1COC(=O)c1ccc([N+](=O)[O-])cc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@H]1[C@@H](O1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
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Identifiers
InChI
InChI=1S/C11H11NO5/c1-7-10(17-7)6-16-11(13)8-2-4-9(5-3-8)12(14)15/h2-5,7,10H,6H2,1H3/t7-,10-/m0/s1
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InChIKey
BPOPJHHLTDEVBN-XVKPBYJWSA-N
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CAS Registry Number
106268-97-7
1 reference
InChIKey
BPOPJHHLTDEVBN-XVKPBYJWSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=106268-97-7
PubChem CID
150175
1 reference
matched by identifier from
InChIKey
InChIKey
BPOPJHHLTDEVBN-XVKPBYJWSA-N
UniChem compound ID
14646960
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90147559
1 reference
matched by identifier from
InChIKey
InChIKey
BPOPJHHLTDEVBN-XVKPBYJWSA-N
DSSTOX compound identifier
DTXCID7070050
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