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Chemical ID: 6386409
Chemical ID:
6386409
Name [?]:
4-cyclopropylamino-4-oxo-but-2-enoic acid
SMILES [?]:
C1CC1NC(=O)C=CC(=O)O
InChi [?]:
InChI=1/C7H9NO3/c9-6(3-4-7(10)11)8-5-1-2-5/h3-5H,1-2H2,(H,8,9)(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,7,8,3,5,9,4,6,10,11/E:(1,2)(10,11)/rA:11nCCCNCOCCCOO/rB:s1;s1s2;s3;s4;d5;s5;w7;s8;d9;s9;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H9NO3 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.73308 |
Area: | 322.711 |
Solvation: | -3.33469 |
Coulombic: | -45.6795 |
Bond Count [?]
All: | 11 |
Single: | 8 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 155.151 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | -0.08 |
LogP (Chemaxon): | -0.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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