Chemical ID: 6658595

COc1ccc(c2c1cccc2)C(=O)CCC(=O)O
Chemical ID:
6658595
Name [?]:
4-(4-methoxy-1-naphthyl)-4-oxo-butanoic acid
SMILES [?]:
COc1ccc(c2c1cccc2)C(=O)CCC(=O)O
InChi [?]:
InChI=1/C15H14O4/c1-19-14-8-6-11(13(16)7-9-15(17)18)10-4-2-3-5-12(10)14/h2-6,8H,7,9H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,11,10,12,9,5,15,4,16,7,6,8,13,3,17,14,18,19,2/E:(17,18)/rA:19nCOCCCCCCCCCCCOCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s10;s7d11;s6;d13;s13;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14O4
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.20003
Area:447.701
Solvation:-3.99248
Coulombic:-41.4633
Bond Count [?]
All:20
Single:13
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:258.269
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.41
LogP (Chemaxon):1.9

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