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Chemical ID: 7092127
Chemical ID:
7092127
Name [?]:
ethyl 4-(aminomethyl)-5-methyl-furan-2-carboxylate
SMILES [?]:
CCOC(=O)c1cc(c(o1)C)CN
InChi [?]:
InChI=1/C9H13NO3/c1-3-12-9(11)8-4-7(5-10)6(2)13-8/h4H,3,5,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,7,12,9,8,6,4,13,5,3,10/rA:13nCCOCOCCCCOCCN/rB:s1;s2;s3;d4;s4;d6;s7;d8;s6s9;s9;s8;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H13NO3 |
All Atoms: | 26 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.64782 |
Area: | 372.795 |
Solvation: | -2.67205 |
Coulombic: | -39.5843 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 183.204 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 0.36 |
LogP (Chemaxon): | 0.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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