Details
Stereochemistry | ACHIRAL |
Molecular Formula | C8H11NO.C4H6O4 |
Molecular Weight | 255.2671 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CCC(O)=O.CCC1=NC(C)=CC=C1O
InChI
InChIKey=IKMNOGHPKNFPTK-UHFFFAOYSA-N
InChI=1S/C8H11NO.C4H6O4/c1-3-7-8(10)5-4-6(2)9-7;5-3(6)1-2-4(7)8/h4-5,10H,3H2,1-2H3;1-2H2,(H,5,6)(H,7,8)
Molecular Formula | C4H6O4 |
Molecular Weight | 118.088 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C8H11NO |
Molecular Weight | 137.179 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 18:14:41 UTC 2023
by
admin
on
Fri Dec 15 18:14:41 UTC 2023
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Record UNII |
2R985002CT
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Record Status |
Validated (UNII)
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Record Version |
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-
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2R985002CT
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127464-43-1
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DTXSID30155577
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100000128270
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122298
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C070020
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SUB35088
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |