γ-Oxo-1-pyrenebutyric acid - CAS 7499-60-7

Catalog:	BB035218
Product Name:	γ-Oxo-1-pyrenebutyric acid
CAS:	7499-60-7
Synonyms:	4-oxo-4-pyren-1-ylbutanoic acid

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Computed Properties

IUPAC Name:	4-oxo-4-pyren-1-ylbutanoic acid
Description:	γ-Oxo-1-pyrenebutyric acid (CAS# 7499-60-7) is a useful research chemical.
Molecular Weight:	302.32
Molecular Formula:	C20H14O3
Canonical SMILES:	C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C(=O)CCC(=O)O
InChI:	InChI=1S/C20H14O3/c21-17(10-11-18(22)23)15-8-6-14-5-4-12-2-1-3-13-7-9-16(15)20(14)19(12)13/h1-9H,10-11H2,(H,22,23)
InChI Key:	AAJQTWWVKREOQP-UHFFFAOYSA-N
Boiling Point:	574.2 °C at 760 mmHg
Melting Point:	184 °C (DEC.)
Purity:	95 %
Density:	1.367 g/cm³
MDL:	MFCD00010369
LogP:	4.63150

Publication Number	Title	Priority Date
CN-107804839-B	High-elasticity graphene aerogel and preparation method thereof	20171128
CN-107158753-A	It is firm, it is durable, can volume production the effective oil/water separation in the presence of a harsh environment of fluorine graft grapheme based super hydrophobic coating	20170608
CN-108666150-A	The method for forming multilayered structure	20170328
JP-2018172661-A	Method for forming a multilayer structure	20170328
KR-102031560-B1	Method of forming a multilayer structure	20170328

PMID	Publication Date	Title	Journal
18042718	20071204	Protein protein interaction inhibition (2P2I) combining high throughput and virtual screening: Application to the HIV-1 Nef protein	Proceedings of the National Academy of Sciences of the United States of America

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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+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	485
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	302.094294304
Formal Charge:	0
Heavy Atom Count:	23
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	302.094294304
Rotatable Bond Count:	4
Topological Polar Surface Area:	54.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1