Methyl 5-Formyl-2-methylbenzoate - CAS 675148-96-6

Catalog:	BB033304
Product Name:	Methyl 5-Formyl-2-methylbenzoate
CAS:	675148-96-6
Synonyms:	5-formyl-2-methylbenzoic acid methyl ester; methyl 5-formyl-2-methylbenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 5-formyl-2-methylbenzoate
Description:	Methyl 5-Formyl-2-methylbenzoate (CAS# 675148-96-6) is a useful research chemical.
Molecular Weight:	178.18
Molecular Formula:	C10H10O3
Canonical SMILES:	CC1=C(C=C(C=C1)C=O)C(=O)OC
InChI:	InChI=1S/C10H10O3/c1-7-3-4-8(6-11)5-9(7)10(12)13-2/h3-6H,1-2H3
InChI Key:	MIIQLLBCEKFYBZ-UHFFFAOYSA-N
Appearance:	White to yellow solid
LogP:	1.59410

Publication Number	Title	Priority Date
WO-2018089433-A1	PHENYL mTORC INHIBITORS AND USES THEREOF	20161108
US-10030020-B2	Spirocycle compounds and methods of making and using same	20160512
US-2017327500-A1	Spirocycle compounds and methods of making and using same	20160512
AU-2015363761-A1	Substituted amino triazoles useful as acidic mammalian chitinase inhibitors	20141219
EP-3233832-A1	Substituted amino triazoles useful as acidic mammalian chitinase inhibitors	20141219

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Complexity:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.062994177
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	178.062994177
Rotatable Bond Count:	3
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2