AG003DOI

31519-22-9 | 1,4-Dihydroxy-2-naphthoic acid

AG003DOI

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CAS Number	31519-22-9
Catalog Number	AG003DOI(AGN-PC-0JK5NB)
Chemical Name	1,4-Dihydroxy-2-naphthoic acid
EC Number	250-674-7
IUPAC Name	1,4-dihydroxynaphthalene-2-carboxylic acid
InChI	InChI=1S/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H,(H,14,15)
InChI Key	VOJUXHHACRXLTD-UHFFFAOYSA-N
MDL Number	MFCD00010370
Molecular Formula	C11H8O4
Molecular Weight	204.1788
SMILES	OC(=O)C1=C(O)C2=C(C=CC=C2)C(O)=C1
UNII	1U77MR5Q7O
Synonyms	1,4-dihydroxy-2-naphthoate, 1,4-dihydroxy-2-naphthoic acid, 1,4-Dihydroxy-2-naphthoic acid, 31519-22-9, 1,4-Dihydroxy-2-naphthalenecarboxylic acid, 1,4-Dihydroxynaphthalene-2-carboxylic acid, 1,4-dihydroxy-2-naphthoate, 2-Naphthalenecarboxylic acid, 1,4-dihydroxy-, UNII-1U77MR5Q7O, 1U77MR5Q7O, 1,4-Dihydroxy-2-naphtoic acid, CHEBI:18094, VOJUXHHACRXLTD-UHFFFAOYSA-N, MFCD00010370, 1,4-Dohydroxy-2-Naphthoic Acid, 1,4-dihydroxy-2-naphthalic acid, EINECS 250-674-7, AC1Q5UOJ, CBMicro_022187, ACMC-209hn7, bmse000688, C03657, AC1L19RB, DSSTox_CID_17730, DSSTox_RID_79366, DSSTox_GSID_37730, Oprea1_682770, SCHEMBL317180, 1,4-Dihydroxy-2-naphthoicAcid, Jsp005879, CHEMBL1232286, DTXSID0037730, CTK1C2251, KS-00000COO, VOJUXHHACRXLTD-UHFFFAOYSA-, 2-Naphthoic acid, 1,4-dihydroxy, ZINC409255, 2-Naphthoic acid, 1,4-dihydroxy-, Tox21_301655, ANW-27137, SBB037946, STL513558, AKOS000120806, ACN-049156, MCULE-2532999005, RL03113, TRA0087386, VZ20707, 1,4-Dihydroxy-2-carboxy naphthoic acid, 1,4-Dihydroxy-2-naphthoic acid, 97%, NCGC00164120-01, NCGC00255467-01, AC-23628, AJ-22701, SC-80391, ST086489, SY014338, CAS-31519-22-9, DB-048057, RT-002486, TL8002414, D2296, FT-0638978, ST24026779, Z-4242, AB00443880-02, MFCD00010370 (97+%), I01-1661, W-106893, 1F3E7FB2-5745-4C2A-A942-D4AD78D5E1F0, Z262222208, InChI=1/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H,(H,14,15), CID671, 1,4-dihydroxy-2-napthoic acid, C11H8O4, KST-1B3129, AR-1B7766, C11-H8-O4, 3-(4-aminophenyl)pyrrolidine-2,5-dione, 3-(4-Amino-phenyl)-pyrrolidine-2,5-dione, A13983, C024023, 1,4-Dihydroxy-2-naphthoic acid, 98% - 25G 25g, 32856-49-8, DNA,

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	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338-P280a-P304+P340-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Siginal words

Certificate of Analysis

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