AG002JY6

2089-89-6 | Naphthalene-2,7-dicarboxylic acid

AG002JY6

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CAS Number	2089-89-6
Catalog Number	AG002JY6(AGN-PC-00G7YR)
Chemical Name	Naphthalene-2,7-dicarboxylic acid
IUPAC Name	naphthalene-2,7-dicarboxylic acid
InChI	InChI=1S/C12H8O4/c13-11(14)8-3-1-7-2-4-9(12(15)16)6-10(7)5-8/h1-6H,(H,13,14)(H,15,16)
InChI Key	WPUMVKJOWWJPRK-UHFFFAOYSA-N
MDL Number	MFCD00060862
Molecular Formula	C12H8O4
Molecular Weight	216.1895
SMILES	C1=C(C=CC2=CC=C(C=C12)C(=O)O)C(=O)O
UNII	D5IW7R9WZY
Synonyms	Naphthalene-2,7-dicarboxylic Acid, 2,7-Naphthalenedicarboxylic acid, 2089-89-6, UNII-D5IW7R9WZY, D5IW7R9WZY, CHEMBL98615, ACMC-1CGSG, SCHEMBL28025, 2,7-naphthalene-dicarboxylic, 2,7-Naphthalenedicarboxylicacid, 2,7-naphthalenedicarbxylic acid, CTK1A1818, naphthalene-2,7-dicarboxylicacid, DTXSID60472865, WPUMVKJOWWJPRK-UHFFFAOYSA-N, ACT02800, ZINC2528279, ANW-47404, BDBM50103231, CN-614, CN0022, MFCD00060862, AKOS015856074, AC-5228, ACM2089896, AN-3986, GS-3855, AJ-38258, AK-38420, BR-38420, SC-24089, SY027718, AB0023343, AX8041446, DB-005899, ST2419745, TC-010016, FT-0600343, W4378, MFCD00060862 (95%), S-7338, 089N896, A815011, C-46858, I14-11207, Testosterone 17-benzoate, C12H8O4, CID11790598,

Complexity	271
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.042g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	216.192g/mol
Monoisotopic Mass	216.042g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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