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99855-14-8 | 3-Pyrrolidinyl benzoate hydrochloride
CAS No: 99855-14-8 Catalog No: AG01FOEU MDL No:
Product Description
Catalog Number:
AG01FOEU
Chemical Name:
3-Pyrrolidinyl benzoate hydrochloride
CAS Number:
99855-14-8
IUPAC Name:
pyrrolidin-3-yl benzoate;hydrochloride
InChI:
InChI=1S/C11H13NO2.ClH/c13-11(9-4-2-1-3-5-9)14-10-6-7-12-8-10;/h1-5,10,12H,6-8H2;1H
InChI Key:
JLKXFQSVFVZLFI-UHFFFAOYSA-N
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.071g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.688g/mol
Monoisotopic Mass:
227.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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