4-Isopropoxybenzaldehyde - CAS 18962-05-5

Catalog:	BB014643
Product Name:	4-Isopropoxybenzaldehyde
CAS:	18962-05-5
Synonyms:	4-propan-2-yloxybenzaldehyde; 4-propan-2-yloxybenzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	4-propan-2-yloxybenzaldehyde
Description:	4-Isopropoxybenzaldehyde (CAS# 18962-05-5) is a useful research chemical.
Molecular Weight:	164.20
Molecular Formula:	C10H12O2
Canonical SMILES:	CC(C)OC1=CC=C(C=C1)C=O
InChI:	InChI=1S/C10H12O2/c1-8(2)12-10-5-3-9(7-11)4-6-10/h3-8H,1-2H3
InChI Key:	WDANSDASCKBVKH-UHFFFAOYSA-N
Boiling Point:	108-110 °C (5 torr)
MDL:	MFCD00052357
LogP:	2.28630

Publication Number	Title	Priority Date
CN-112047962-A	2H-thiazolo [3,2-b ] -1,2, 4-triazine-3, 7-diketone derivative and application thereof	20201018
WO-2021037750-A1	Novel compounds for skin lightening	20190828
WO-2021037759-A1	Novel compounds for skin lightening	20190828
EP-3589632-A1	Novel inhibitors of bacterial glutaminyl cyclases for use in the treatment of periodontal and related diseases	20180223
WO-2019162458-A1	Novel inhibitors of bacterial glutaminyl cyclases for use in the treatment of periodontal and related diseases	20180223

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	135
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.083729621
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	164.083729621
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6