Details
Stereochemistry | RACEMIC |
Molecular Formula | C16H23NO.C4H4O4 |
Molecular Weight | 361.4321 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CC1CCCCN1CC2=CC3=C(CCC3)C=C2O
InChI
InChIKey=GVXPAWFMZOZNLY-BTJKTKAUSA-N
InChI=1S/C16H23NO.C4H4O4/c1-12-5-2-3-8-17(12)11-15-9-13-6-4-7-14(13)10-16(15)18;5-3(6)1-2-4(7)8/h9-10,12,18H,2-8,11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
Molecular Formula | C4H4O4 |
Molecular Weight | 116.0722 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Molecular Formula | C16H23NO |
Molecular Weight | 245.3599 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:05:39 GMT 2023
by
admin
on
Sat Dec 16 10:05:39 GMT 2023
|
Record UNII |
MUU1P6804I
|
Record Status |
Validated (UNII)
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Record Version |
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-
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MUU1P6804I
Created by
admin on Sat Dec 16 10:05:39 GMT 2023 , Edited by admin on Sat Dec 16 10:05:39 GMT 2023
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PRIMARY | |||
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52849-32-8
Created by
admin on Sat Dec 16 10:05:39 GMT 2023 , Edited by admin on Sat Dec 16 10:05:39 GMT 2023
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53305-31-0
Created by
admin on Sat Dec 16 10:05:39 GMT 2023 , Edited by admin on Sat Dec 16 10:05:39 GMT 2023
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NON-SPECIFIC STOICHIOMETRY | |||
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6439739
Created by
admin on Sat Dec 16 10:05:39 GMT 2023 , Edited by admin on Sat Dec 16 10:05:39 GMT 2023
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PRIMARY |