Methyl 2-Amino-5-isopropoxybenzoate - CAS 458537-97-8

Catalog:	BB026003
Product Name:	Methyl 2-Amino-5-isopropoxybenzoate
CAS:	458537-97-8
Synonyms:	2-amino-5-propan-2-yloxybenzoic acid methyl ester; methyl 2-amino-5-propan-2-yloxybenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2-amino-5-propan-2-yloxybenzoate
Description:	Methyl 2-Amino-5-isopropoxybenzoate (CAS# 458537-97-8 ) is a useful research chemical.
Molecular Weight:	209.24
Molecular Formula:	C11H15NO3
Canonical SMILES:	CC(C)OC1=CC(=C(C=C1)N)C(=O)OC
InChI:	InChI=1S/C11H15NO3/c1-7(2)15-8-4-5-10(12)9(6-8)11(13)14-3/h4-7H,12H2,1-3H3
InChI Key:	ZPLOXNIWFQQOTQ-UHFFFAOYSA-N
LogP:	2.42380

Publication Number	Title	Priority Date
WO-2010127208-A1	Inhibitors of acetyl-coa carboxylase	20090430
AU-2002253061-B2	Alkoxycarbonylamino benzoic acid or alkoxycarbonylamino tetrazolyl phenyl derivatives as IP antagonists	20010302
CA-2438737-A1	Alkoxycarbonylamino benzoic acid or alkoxycarbonylamino tetrazolyl phenyl derivatives as ip antagonists	20010302
DE-60207399-T2	ALKOXYCARBONYLAMINOBENOIC ACID OR ALKOXYCARBONYLAMINOTETROZOLYLPHENYL DERIVATIVES AS IP ANTAGONISTS	20010302
EP-1379516-A1	Alkoxycarbonylamino benzoic acid or alkoxycarbonylamino tetrazolyl phenyl derivatives as ip antagonists	20010302

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Complexity:	218
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.10519334
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	209.10519334
Rotatable Bond Count:	4
Topological Polar Surface Area:	61.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4