2-allyl-3-hydroxybenzaldehyde - CAS 79950-42-8

Catalog:	BB036434
Product Name:	2-allyl-3-hydroxybenzaldehyde
CAS:	79950-42-8
Synonyms:	3-hydroxy-2-prop-2-enylbenzaldehyde; 3-hydroxy-2-prop-2-enylbenzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	3-hydroxy-2-prop-2-enylbenzaldehyde
Description:	2-allyl-3-hydroxybenzaldehyde (CAS# 79950-42-8) is useful for diastereoselective preparation of bicyclic compounds.
Molecular Weight:	162.19
Molecular Formula:	C10H10O2
Canonical SMILES:	C=CCC1=C(C=CC=C1O)C=O
InChI:	InChI=1S/C10H10O2/c1-2-4-9-8(7-11)5-3-6-10(9)12/h2-3,5-7,12H,1,4H2
InChI Key:	QVHRAGBOMUXWRI-UHFFFAOYSA-N
Boiling Point:	274.4 °C at 760 mmHg
Density:	1.126 g/cm³
LogP:	1.93320

Publication Number	Title	Priority Date
AU-2018355709-A1	Novel macrocyclic derivatives, process for preparing same and pharmaceutical compositions containing same	20171025
FR-3072679-A1	NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM	20171025
TW-201922754-A	Novel macrocyclic compound, preparation method thereof and pharmaceutical composition containing same	20171025
TW-I685498-B	New macrocyclic compounds, a process for their preparation and pharmaceutical compositions containing them	20171025
WO-2019081559-A1	NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM	20171025

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GHS Hazard Statement:	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]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	165
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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	162.068079557
Rotatable Bond Count:	3
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1