Chemical ID: 6918173

CC(c1ccc2cc(ccc2c1)OC)C(=O)[O-]
Chemical ID:
6918173
Name [?]:
2-(6-methoxy-2-naphthyl)propanoate
SMILES [?]:
CC(c1ccc2cc(ccc2c1)OC)C(=O)[O-]
InChi [?]:
InChI=1/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:1,14,4,5,10,9,12,7,2,3,11,6,8,15,16,17,13/E:(15,16)/rA:17cCCCCCCCCCCCCOCCOO-/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;d3s11;s8;s13;s2;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13O3-
All Atoms:30
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:-34.7394
Area:408.529
Solvation:-44.9526
Coulombic:-6.76571
Bond Count [?]
All:18
Single:12
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:229.251
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.36
LogP (Chemaxon):2.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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