2,7-Naphthalenedicarboxylic Acid - CAS 2089-89-6

Catalog:	BB016393
Product Name:	2,7-Naphthalenedicarboxylic Acid
CAS:	2089-89-6
Synonyms:	naphthalene-2,7-dicarboxylic acid; naphthalene-2,7-dicarboxylic acid

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Computed Properties

IUPAC Name:	naphthalene-2,7-dicarboxylic acid
Description:	2,7-Naphthalenedicarboxylic Acid (CAS# 2089-89-6) is a useful research chemical compound.
Molecular Weight:	216.19
Molecular Formula:	C12H8O4
Canonical SMILES:	C1=CC(=CC2=C1C=CC(=C2)C(=O)O)C(=O)O
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
Boiling Point:	437.281 °C at 760 mmHg
Density:	1.455 g/cm³
LogP:	2.23620

Publication Number	Title	Priority Date
CN-113479924-A	Crystal transformation agent for preparing alpha high-strength gypsum from industrial byproduct gypsum	20210729
CN-113429565-A	High-toughness semi-aromatic polyamide resin and preparation method thereof	20210629
CN-113185688-A	Copolyamide and preparation method thereof	20210331
CN-112500570-A	Flexible display device, polyamic acid varnish for display, and polyimide film	20210204
CN-112500570-B	Flexible display device, polyamic acid varnish for display, and polyimide film	20210204

PMID	Publication Date	Title	Journal
22428162	20120425	Rapid determination of the optical and redox properties of a metal-organic framework via in situ solid state spectroelectrochemistry	Chemical communications (Cambridge, England)
19333479	20090421	A metal-organic framework based on an unprecedented nonanuclear cluster as a secondary building unit: structure and gas sorption behavior	Chemical communications (Cambridge, England)
19235965	20090302	Isoreticular metal-organic polyhedral networks based on 5-connecting paddlewheel motifs	Inorganic chemistry
17298075	20070315	Synthesis and structures of diindeno-fused 1,12-diphenylbenzo[c]phenanthrene and 1,14-diphenyl[5]helicene bearing severe helical twists	Organic letters
11520195	20010830	Utilization of a peptide lead for the discovery of a novel PTP1B-binding motif	Journal of medicinal chemistry

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	271
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.04225873
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	216.04225873
Rotatable Bond Count:	2
Topological Polar Surface Area:	74.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8