Methyl 3-Formyl-4-methoxybenzoate - CAS 145742-55-8

Catalog:	BB009997
Product Name:	Methyl 3-Formyl-4-methoxybenzoate
CAS:	145742-55-8
Synonyms:	3-formyl-4-methoxybenzoic acid methyl ester; methyl 3-formyl-4-methoxybenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 3-formyl-4-methoxybenzoate
Description:	Methyl 3-Formyl-4-methoxybenzoate (CAS# 145742-55-8 ) is a useful research chemical.
Molecular Weight:	194.18
Molecular Formula:	C10H10O4
Canonical SMILES:	COC1=C(C=C(C=C1)C(=O)OC)C=O
InChI:	InChI=1S/C10H10O4/c1-13-9-4-3-7(10(12)14-2)5-8(9)6-11/h3-6H,1-2H3
InChI Key:	NTQXOXZCWHKHOA-UHFFFAOYSA-N
LogP:	1.29430

Publication Number	Title	Priority Date
US-2019322658-A1	Antiproliferation compounds and uses thereof	20180424
WO-2019209759-A1	Antiproliferation compounds and uses thereof	20180424
AU-2019261308-A1	Antiproliferation compounds and uses thereof	20180424
US-10815225-B2	Antiproliferation compounds and uses thereof	20180424
BR-112020020940-A2	antiproliferation compounds and their use	20180424

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Carbonyl Compounds

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Complexity:	214
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.0579088
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	194.0579088
Rotatable Bond Count:	4
Topological Polar Surface Area:	52.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2