Chemical ID: 7655469

CC(C)(C)OC(=O)NCc1ccc(cc1)C=O
Chemical ID:
7655469
Name [?]:
None
SMILES [?]:
CC(C)(C)OC(=O)NCc1ccc(cc1)C=O
InChi [?]:
InChI=1/C13H17NO3/c1-13(2,3)17-12(16)14-8-10-4-6-11(9-15)7-5-10/h4-7,9H,8H2,1-3H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,3,4,11,15,12,14,9,16,10,13,6,2,8,17,7,5/E:(1,2,3)(4,5)(6,7)/rA:17nCCCCOCONCCCCCCCCO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17NO3
All Atoms:34
Heavy Atoms:17
Chiral Atoms:None
ZAP Information [?]
Total:8.17532
Area:442.504
Solvation:-2.88729
Coulombic:-41.8693
Bond Count [?]
All:17
Single:12
Double:5
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.59
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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