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1220032-96-1 | Benzoic acid, 2-(3-pyrrolidinyloxy)-, ethyl ester, hydrochloride (1:1)
CAS No: 1220032-96-1 Catalog No: AG0016K6 MDL No:MFCD13560922
Product Description
Catalog Number:
AG0016K6
Chemical Name:
Benzoic acid, 2-(3-pyrrolidinyloxy)-, ethyl ester, hydrochloride (1:1)
CAS Number:
1220032-96-1
Molecular Formula:
C13H18ClNO3
Molecular Weight:
271.7399
MDL Number:
MFCD13560922
IUPAC Name:
ethyl 2-pyrrolidin-3-yloxybenzoate;hydrochloride
InChI:
InChI=1S/C13H17NO3.ClH/c1-2-16-13(15)11-5-3-4-6-12(11)17-10-7-8-14-9-10;/h3-6,10,14H,2,7-9H2,1H3;1H
InChI Key:
GHZKMRHHNSTHLE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccccc1OC1CNCC1.Cl
Properties
Complexity:
257
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:
5
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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