3-Allyl-4-methoxybenzoic acid - CAS 7501-09-9

Catalog:	BB035222
Product Name:	3-Allyl-4-methoxybenzoic acid
CAS:	7501-09-9
Synonyms:	4-methoxy-3-prop-2-enylbenzoic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	4-methoxy-3-prop-2-enylbenzoic acid
Description:	3-Allyl-4-methoxybenzoic acid (CAS# 7501-09-9) is a useful research chemical compound.
Molecular Weight:	192.21
Molecular Formula:	C11H12O3
Canonical SMILES:	COC1=C(C=C(C=C1)C(=O)O)CC=C
InChI:	InChI=1S/C11H12O3/c1-3-4-8-7-9(11(12)13)5-6-10(8)14-2/h3,5-7H,1,4H2,2H3,(H,12,13)
InChI Key:	LGIGQNDSEONVRB-UHFFFAOYSA-N
Boiling Point:	312.6 ℃ at 760 mmHg
Density:	1.128 g/cm³
MDL:	MFCD03312919
LogP:	2.12190

Publication Number	Title	Priority Date
EP-1847535-A1	1-(piperidin-4-yl)-1h-indole derivative	20050204
JP-WO2006082872-A1	1- (Piperidin-4-yl) -1H-indole derivatives	20050204
US-2008119518-A1	1-(Piperidin-4- Yl)-1H-Indole Derivatives	20050204
CA-2300178-A1	Phenyl urea and phenyl thiourea derivatives as hfgan72 antagonists	19970814
EP-1003737-A1	Phenyl urea and phenyl thiourea derivatives as hfgan72 antagonists	19970814

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Complexity:	213
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.078644241
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	192.078644241
Rotatable Bond Count:	4
Topological Polar Surface Area:	46.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5