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Chemical ID: 4937593

Chemical ID:

4937593

Name [?]:

methyl 6,7-dihydroxynaphthalene-2-carboxylate

SMILES [?]:

COC(=O)c1ccc2cc(c(cc2c1)O)O

InChi [?]:

InChI=1/C12H10O4/c1-16-12(15)8-3-2-7-5-10(13)11(14)6-9(7)4-8/h2-6,13-14H,1H3

InChi Info:

AuxInfo=1/0/N:1,7,6,14,9,12,8,5,13,10,11,3,16,15,4,2/rA:16nCOCOCCCCCCCCCCOO/rB:s1;s2;d3;s3;s5;d6;s7;s8;d9;s10;d11;d8s12;d5s13;s11;s10;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₀O₄
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	5.99787
Area:	387.99
Solvation:	-3.70189
Coulombic:	-52.2361

Bond Count [?]

All:	17
Single:	11
Double:	6
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	218.205
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	2.84
LogP (Chemaxon):	2.03

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value