9,10-Anthracenedipropanoic acid, min.97% (NMR)

Name: 9,10-Anthracenedipropanoic acid
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

71367-28-7

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About this item

IUPAC name	3-[10-(2-carboxyethyl)anthracen-9-yl]propanoic acid
inchi	InChI=1S/C20H18O4/c21-19(22)11-9-17-13-5-1-2-6-14(13)18(10-12-20(23)24)16-8-4-3-7-15(16)17/h1-8H,9-12H2,(H,21,22)(H,23,24)
inchi key	PHRHANASDXMZLU-UHFFFAOYSA-N
molecular formula	C20H18O4
synonyms	71367-28-7 3,3'-(Anthracene-9,10-diyl)dipropanoic acid 9,10-Anthracenedipropanoic acid 9,10-Anthracenedipropanoicacid 3-[10-(2-carboxyethyl)anthracen-9-yl]propanoic acid

Computed Properties

Molecular Weight:	322.4 g/mol
XLogP3:	4.5
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	6
Exact Mass:	322.12050905 Da
Monoisotopic Mass:	322.12050905 Da
Topological Polar Surface Area:	74.6 Å²
Heavy Atom Count:	24
Formal Charge:	0
Complexity:	395
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%) Aquatic Acute 1 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

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Product No: DT7945

9,10-Anthracenedipropanoic acid, min.97% (NMR)

Product No: DT7945

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NAME AND IDENTIFIERS

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SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?