Chemical ID: 7090439

COC(=O)CC(=O)c1cccc2c1cccc2
Chemical ID:
7090439
Name [?]:
methyl 3-(1-naphthyl)-3-oxo-propanoate
SMILES [?]:
COC(=O)CC(=O)c1cccc2c1cccc2
InChi [?]:
InChI=1/C14H12O3/c1-17-14(16)9-13(15)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,10,17,11,14,9,5,12,13,8,6,3,7,4,2/rA:17nCOCOCCOCCCCCCCCCC/rB:s1;s2;d3;s3;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;d14;s15;s12d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12O3
All Atoms:29
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.25269
Area:404.188
Solvation:-3.85202
Coulombic:-25.4808
Bond Count [?]
All:18
Single:11
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:228.243
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.23
LogP (Chemaxon):2.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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