Chemical ID: 3961286

Cc1cc2c(o1)cc([nH]2)C(=O)OC
Chemical ID:
3961286
Name [?]:
methyl 7-methyl-6-oxa-2-azabicyclo[3.3.0]octa-3,7,9-triene-3-carboxylate
SMILES [?]:
Cc1cc2c(o1)cc([nH]2)C(=O)OC
InChi [?]:
InChI=1/C9H9NO3/c1-5-3-6-8(13-5)4-7(10-6)9(11)12-2/h3-4,10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,3,7,2,4,8,5,10,9,11,12,6/rA:13nCCCCCOCCNCOOC/rB:s1;d2;s3;d4;s2s5;s5;d7;s4s8;s8;d10;s10;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9NO3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.27831
Area:345.104
Solvation:-2.3493
Coulombic:-38.1256
Bond Count [?]
All:14
Single:10
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:179.173
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.39
LogP (Chemaxon):1.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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