2,3-Dihydro-1H-phenalen-1-one - CAS 518-85-4

Catalog:	BB027637
Product Name:	2,3-Dihydro-1H-phenalen-1-one
CAS:	518-85-4
Synonyms:	2,3-dihydrophenalen-1-one; 2,3-dihydrophenalen-1-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,3-dihydrophenalen-1-one
Description:	2,3-Dihydro-1H-phenalen-1-one (CAS# 518-85-4) is a useful research chemical.
Molecular Weight:	182.22
Molecular Formula:	C13H10O
Canonical SMILES:	C1CC(=O)C2=CC=CC3=C2C1=CC=C3
InChI:	InChI=1S/C13H10O/c14-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10/h1-6H,7-8H2
InChI Key:	NUCARPFILXBGFK-UHFFFAOYSA-N
LogP:	2.96870

Publication Number	Title	Priority Date
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Related Functional Groups

Carbonyl Compounds

[87-88-7]
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[959574-98-2]
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[1018141-88-2]
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[70912-52-6]
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[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

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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:	246
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.073164938
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	182.073164938
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9