AG01DDPC

2061979-44-8 | 2-METHOXY-5-PYRROLIDIN-2-YL-BENZOIC ACID METHYL ESTER

AG01DDPC

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CAS Number	2061979-44-8
Catalog Number	AG01DDPC
Chemical Name	2-METHOXY-5-PYRROLIDIN-2-YL-BENZOIC ACID METHYL ESTER
IUPAC Name	methyl 2-methoxy-5-pyrrolidin-2-ylbenzoate;hydrochloride
InChI	InChI=1S/C13H17NO3.ClH/c1-16-12-6-5-9(11-4-3-7-14-11)8-10(12)13(15)17-2;/h5-6,8,11,14H,3-4,7H2,1-2H3;1H
InChI Key	ISYVOPIRHRZEJD-UHFFFAOYSA-N
MDL Number	MFCD30479703
Molecular Formula	C13H18ClNO3
Molecular Weight	271.7399
SMILES	O=C(OC)C1=CC(C2NCCC2)=CC=C1OC.[H]Cl
Synonyms	Methyl 2-methoxy-5-(pyrrolidin-2-yl)benzoate hydrochloride, 2061979-44-8, KS-00000U3D, AKOS030632956, AK608011, DS-19791,

Complexity	269
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	271.098g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	271.741g/mol
Monoisotopic Mass	271.098g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	47.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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