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Chemical ID: 4937592
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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