γ-Phenyl-γ-butyrolactone - CAS 1008-76-0

Catalog:	BB000377
Product Name:	γ-Phenyl-γ-butyrolactone
CAS:	1008-76-0
Synonyms:	5-phenyloxolan-2-one

Technical Data

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Computed Properties

IUPAC Name:	5-phenyloxolan-2-one
Description:	γ-Phenyl-γ-butyrolactone (CAS# 1008-76-0) is a useful research chemical.
Molecular Weight:	162.19
Molecular Formula:	C10H10O2
Canonical SMILES:	C1CC(=O)OC1C2=CC=CC=C2
InChI:	InChI=1S/C10H10O2/c11-10-7-6-9(12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChI Key:	AEUULUMEYIPECD-UHFFFAOYSA-N
Boiling Point:	306 °C
Density:	1.155 g/mL at 25 °C (lit.)
MDL:	MFCD00005398
LogP:	2.06470

Publication Number	Title	Priority Date
CN-113512300-A	High-extrusion-efficiency bamboo-based composite material containing carbon nano tubes and preparation method thereof	20210708
CN-111393394-A	Synthesis method of butyrolactone compound	20200512
WO-2021205123-A1	Process for the free radical polymerization of thionolactones or thionocarbonates	20200409
WO-2021172511-A1	Photochromic curable composition and photochromic optical article	20200228
WO-2021172512-A1	Photochromic optical article	20200227

PMID	Publication Date	Title	Journal
19438217	20090619	Asymmetric synthesis of anti-aldol segments via a nonaldol route: synthetic applications to statines and (-)-tetrahydrolipstatin	The Journal of organic chemistry
16320623	20050901	Volatile compounds in shoulder gland secretions of male flying foxes, genus Pteropus (Pteropodidae, Chiroptera)	Zeitschrift fur Naturforschung. C, Journal of biosciences
15916432	20050602	Predictive three-dimensional quantitative structure-activity relationship of cytochrome P450 1A2 inhibitors	Journal of medicinal chemistry
14656116	20031212	Enantioselective synthesis of (+)-cryptophycin 52 (LY355703), a potent antimitotic antitumor agent	The Journal of organic chemistry

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Complexity:	171
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	162.068079557
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	162.068079557
Rotatable Bond Count:	1
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7