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Chemical ID: 4770231
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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