Chemical ID: 4937592

COC(=O)c1ccc2cc(ccc2c1)O
Chemical ID:
4937592
Name [?]:
methyl 6-hydroxynaphthalene-2-carboxylate
SMILES [?]:
COC(=O)c1ccc2cc(ccc2c1)O
InChi [?]:
InChI=1/C12H10O3/c1-15-12(14)10-3-2-9-7-11(13)5-4-8(9)6-10/h2-7,13H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,12,11,14,9,13,8,5,10,3,15,4,2/rA:15nCOCOCCCCCCCCCCO/rB:s1;s2;d3;s3;s5;d6;s7;s8;d9;s10;d11;d8s12;d5s13;s10;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10O3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.84001
Area:373.184
Solvation:-2.48959
Coulombic:-36.9473
Bond Count [?]
All:16
Single:10
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:202.206
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.82
LogP (Chemaxon):2.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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