3-Formyl-5-(methoxycarbonyl)benzoic Acid - CAS 914220-93-2

Catalog:	BB040180
Product Name:	3-Formyl-5-(methoxycarbonyl)benzoic Acid
CAS:	914220-93-2
Synonyms:	3-formyl-5-methoxycarbonylbenzoic acid; 3-formyl-5-methoxycarbonylbenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	3-formyl-5-methoxycarbonylbenzoic acid
Description:	3-Formyl-5-(methoxycarbonyl)benzoic Acid (CAS# 914220-93-2 ) is a useful research chemical.
Molecular Weight:	208.17
Molecular Formula:	C10H8O5
Canonical SMILES:	COC(=O)C1=CC(=CC(=C1)C(=O)O)C=O
InChI:	InChI=1S/C10H8O5/c1-15-10(14)8-3-6(5-11)2-7(4-8)9(12)13/h2-5H,1H3,(H,12,13)
InChI Key:	KZCYOESSJNRPOB-UHFFFAOYSA-N
Boiling Point:	420.2 °C at 760 mmHg
Density:	1.373 g/cm³
LogP:	0.98390

Publication Number	Title	Priority Date
AU-2014224205-A1	Lipids and lipid compositions for the delivery of active agents	20130308
AU-2014224205-B2	Lipids and lipid compositions for the delivery of active agents	20130308
AU-2014224205-C1	Lipids and lipid compositions for the delivery of active agents	20130308
AU-2018279005-A1	Lipids and lipid compositions for the delivery of active agents	20130308
AU-2018279005-B2	Lipids and lipid compositions for the delivery of active agents	20130308

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Complexity:	273
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.03717335
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	208.03717335
Rotatable Bond Count:	4
Topological Polar Surface Area:	80.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3