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Chemical ID: 5004766
Chemical ID:
5004766
Name [?]:
ethyl 5-methyl-1H-pyrazole-3-carboxylate
SMILES [?]:
CCOC(=O)c1cc([nH]n1)C
InChi [?]:
InChI=1/C7H10N2O2/c1-3-11-7(10)6-4-5(2)8-9-6/h4H,3H2,1-2H3,(H,8,9)
InChi Info:
AuxInfo=1/1/N:1,11,2,7,8,6,4,9,10,5,3/rA:11nCCOCOCCCNNC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d6s9;s8;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H10N2O2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.15295 |
Area: | 328.94 |
Solvation: | -2.07055 |
Coulombic: | -29.3589 |
Bond Count [?]
All: | 11 |
Single: | 8 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 154.167 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.31 |
LogP (Chemaxon): | 0.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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