AG003Q0A

6843-89-6 | Ethyl 1,3-dihydroxy-2-naphthoate

AG003Q0A

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CAS Number	6843-89-6
Catalog Number	AG003Q0A(AGN-PC-0JOLAK)
Chemical Name	Ethyl 1,3-dihydroxy-2-naphthoate
IUPAC Name	ethyl 1,3-dihydroxynaphthalene-2-carboxylate
InChI	InChI=1S/C13H12O4/c1-2-17-13(16)11-10(14)7-8-5-3-4-6-9(8)12(11)15/h3-7,14-15H,2H2,1H3
InChI Key	JNVQTZHEEIATCI-UHFFFAOYSA-N
MDL Number	MFCD00451682
Molecular Formula	C13H12O4
Molecular Weight	232.2320
NSC Number	68182
SMILES	O=C(C1=C(O)C=C2C=CC=CC2=C1O)OCC
Synonyms	6843-89-6, ethyl 1,3-dihydroxy-2-naphthoate, 1,3-Dihydroxy-2-naphthalenecarboxylic acid ethyl ester, ethyl 1,3-dihydroxynaphthalene-2-carboxylate, Ethyl-1,3-dihydroxy-2-naphtoate, 2-Naphthalenecarboxylic acid, 1,3-dihydroxy-, ethyl ester, 1,3-dihydroxy-naphthalene-2-carboxylic acid ethyl ester, F0118-0027, Ethyl1,3-Dihydroxy-2-naphthoate, NSC68182, AC1L6OWL, Oprea1_139550, CBDivE_007465, AC1Q64R7, SCHEMBL1127490, CTK5C8008, KS-00000BSU, 2-Naphthalenecarboxylicacid, 1,3-dihydroxy-, ethyl ester, DTXSID80290341, JNVQTZHEEIATCI-UHFFFAOYSA-N, HMS1578I13, ZINC251482, ANW-47358, MFCD00451682, NSC-68182, STK366641, AKOS002285130, MCULE-3231245614, RP28013, TRA0083788, AJ-18385, AK-48444, AS-18501, BC620767, BR-48444, SC-20357, SY025962, AB0026237, DB-029730, TC-136103, 4CH-000648, AM20041005, EU-0001634, FT-0083454, FT-0651438, ST24030421, ST50036131, W7857, 1,3-Dihydroxy-2-naphthoic acid, ethyl ester, S-6397, AB00075325-01, MFCD00451682 (95+%), 843D896, A836152, ethyl 1,3-bis(oxidanyl)naphthalene-2-carboxylate, SR-01000401175, J-503908, S14-1016, SR-01000401175-1, 1,3-Dihydroxynaphthalene-2-carboxylic acid ethyl ester, C13H12O4, AR-1I7860, CID249648, 79831-76-8,

Complexity	279
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	232.074g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	232.235g/mol
Monoisotopic Mass	232.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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