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1220021-53-3 | Cyclobutanecarboxylic acid, 3-pyrrolidinylmethyl ester, hydrochloride (1:1)
CAS No: 1220021-53-3 Catalog No: AG0016KE MDL No:MFCD13559823
Product Description
Catalog Number:
AG0016KE
Chemical Name:
Cyclobutanecarboxylic acid, 3-pyrrolidinylmethyl ester, hydrochloride (1:1)
CAS Number:
1220021-53-3
Molecular Formula:
C10H18ClNO2
Molecular Weight:
219.7084
MDL Number:
MFCD13559823
IUPAC Name:
pyrrolidin-3-ylmethyl cyclobutanecarboxylate;hydrochloride
InChI:
InChI=1S/C10H17NO2.ClH/c12-10(9-2-1-3-9)13-7-8-4-5-11-6-8;/h8-9,11H,1-7H2;1H
InChI Key:
YMEUJWIVTBMPMA-UHFFFAOYSA-N
SMILES:
O=C(C1CCC1)OCC1CCNC1.Cl
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.103g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.709g/mol
Monoisotopic Mass:
219.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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