Chemical ID: 4770231

CC(C(=O)O)Oc1cccc2c1cccc2
Chemical ID:
4770231
Name [?]:
2-(1-naphthyloxy)propanoic acid
SMILES [?]:
CC(C(=O)O)Oc1cccc2c1cccc2
InChi [?]:
InChI=1/C13H12O3/c1-9(13(14)15)16-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,15,14,9,16,10,13,8,2,11,12,7,3,4,5,6/E:(14,15)/rA:16cCCCOOOCCCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s7;d8;s9;d10;d7s11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12O3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:6.57619
Area:385.975
Solvation:-3.07319
Coulombic:-36.8677
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:216.233
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.11
LogP (Chemaxon):2.88

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Descriptor Annotations

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