AG00CHRJ

3147-58-8 | 1,3-Dihydroxy-2-naphthoic acid

AG00CHRJ

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CAS Number	3147-58-8
Catalog Number	AG00CHRJ(AGN-PC-0NGICG)
Chemical Name	1,3-Dihydroxy-2-naphthoic acid
IUPAC Name	1,3-dihydroxynaphthalene-2-carboxylic acid
InChI	InChI=1S/C11H8O4/c12-8-5-6-3-1-2-4-7(6)10(13)9(8)11(14)15/h1-5,12-13H,(H,14,15)
InChI Key	USZZLTVYRPLBMB-UHFFFAOYSA-N
MDL Number	MFCD00458198
Molecular Formula	C11H8O4
Molecular Weight	204.1788
SMILES	O=C(O)C1=C(O)C=C2C=CC=CC2=C1O
Synonyms	1,3-dihydroxy-2-naphthoic acid, 3147-58-8, 1,3-dihydroxynaphthalene-2-carboxylic acid, AK-86675, dihydroxy-2-naphthoic acid, SCHEMBL245378, AMOT0022, CTK1C1873, DTXSID40456587, USZZLTVYRPLBMB-UHFFFAOYSA-N, 1,3-dihydroxy-[2]naphthoic acid, KS-00000PT2, ANW-45965, MFCD00458198, STK330570, ZINC18193580, Dihydroxynaphthalene-2-carboxylic acid, AKOS005438401, MCULE-5364202477, AJ-70457, BC600067, DS-18211, AX8227130, TC-134710, 1,3-dihydroxy-naphthalene-2-carboxylic acid, 2-Naphthalenecarboxylicacid, 1,3-dihydroxy-, 4CH-000725, AM20040153, FT-0688389, ST24020937, W5350, 2-Naphthalenecarboxylic acid, 1,3-dihydroxy-, 1,3-dihydroxy-2-naphthoicacid, C11H8O4, CID11138182,

Complexity	253
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.042g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	204.181g/mol
Monoisotopic Mass	204.042g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	77.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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