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Chemical ID: 6672502
Chemical ID:
6672502
Name [?]:
2-acetamidopent-4-enoic acid
SMILES [?]:
CC(=O)NC(CC=C)C(=O)O
InChi [?]:
InChI=1/C7H11NO3/c1-3-4-6(7(10)11)8-5(2)9/h3,6H,1,4H2,2H3,(H,8,9)(H,10,11)
InChi Info:
AuxInfo=1/1/N:8,1,7,6,2,5,9,4,3,10,11/E:(10,11)/rA:11cCCONCCCCCOO/rB:s1;d2;s2;s4;s5;s6;d7;s5;d9;s9;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H11NO3 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.52548 |
Area: | 333.557 |
Solvation: | -2.81344 |
Coulombic: | -47.6595 |
Bond Count [?]
All: | 10 |
Single: | 7 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 157.167 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.18 |
LogP (Chemaxon): | -0.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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