2-(1,3-Dioxan-2-yl)benzaldehyde - CAS 139086-86-5

Catalog:	BB008884
Product Name:	2-(1,3-Dioxan-2-yl)benzaldehyde
CAS:	139086-86-5
Synonyms:	2-(1,3-dioxan-2-yl)benzaldehyde; 2-(1,3-dioxan-2-yl)benzaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(1,3-dioxan-2-yl)benzaldehyde
Description:	2-(1,3-Dioxan-2-yl)benzaldehyde (CAS# 139086-86-5 ) is a useful research chemical.
Molecular Weight:	192.21
Molecular Formula:	C11H12O3
Canonical SMILES:	C1COC(OC1)C2=CC=CC=C2C=O
InChI:	InChI=1S/C11H12O3/c12-8-9-4-1-2-5-10(9)11-13-6-3-7-14-11/h1-2,4-5,8,11H,3,6-7H2
InChI Key:	NSHMFPCAFAVGCJ-UHFFFAOYSA-N
Boiling Point:	311.2 °C at 760 mmHg
Density:	1.169 g/cm³
MDL:	MFCD07700185
LogP:	1.93460

Publication Number	Title	Priority Date
DE-60115661-T2	1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS	20000810
EP-1307449-A1	1,4-dihydropyridines as bradykinin antagonists	20000810
EP-1307449-B1	1,4-dihydropyridines as bradykinin antagonists	20000810
JP-2004505973-A	1,4-Dihydropyridines as bradykinin antagonists	20000810
US-6653313-B2	1,4-dihydropyridine compounds as bradykinin antagonists	20000810

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

Complexity:	187
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.078644241
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	192.078644241
Rotatable Bond Count:	2
Topological Polar Surface Area:	35.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2