5-Isopropyl-4-methoxy-2-methylbenzaldehyde - CAS 105337-42-6

Catalog:	BB001610
Product Name:	5-Isopropyl-4-methoxy-2-methylbenzaldehyde
CAS:	105337-42-6
Synonyms:	4-methoxy-2-methyl-5-propan-2-ylbenzaldehyde; 4-methoxy-2-methyl-5-propan-2-ylbenzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	4-methoxy-2-methyl-5-propan-2-ylbenzaldehyde
Description:	5-Isopropyl-4-methoxy-2-methylbenzaldehyde (CAS# 105337-42-6) is a useful research chemical.
Molecular Weight:	192.25
Molecular Formula:	C12H16O2
Canonical SMILES:	CC1=CC(=C(C=C1C=O)C(C)C)OC
InChI:	InChI=1S/C12H16O2/c1-8(2)11-6-10(7-13)9(3)5-12(11)14-4/h5-8H,1-4H3
InChI Key:	UREBGRBNUQCTAF-UHFFFAOYSA-N
Boiling Point:	307 °C at 760 mmHg
Density:	1.004 g/cm³
LogP:	2.93950

Publication Number	Title	Priority Date
US-2020078336-A1	6-amino-2,4-dihydropyrano [2,3-c] pyrazoles and methods of use	20170329
WO-2018183587-A1	6-amino-2,4-dihydropyrano [2,3-c] pyrazoles and methods of use	20170329
US-10980781-B2	6-amino-2,4-dihydropyrano [2,3-c] pyrazoles and methods of use	20170329
US-2021196684-A1	6-amino-2,4-dihydropyrano [2,3-c] pyrazoles and methods of use	20170329
US-10195189-B2	2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds	20141215

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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:	189
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.115029749
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	192.115029749
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8