Chemical ID: 7092127

CCOC(=O)c1cc(c(o1)C)CN
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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