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80028-44-0 | Ethyl 3-pyrrolidinecarboxylate hydrochloride
CAS No: 80028-44-0 Catalog No: AG0036JS MDL No:MFCD14585012
Product Description
Catalog Number:
AG0036JS
Chemical Name:
Ethyl 3-pyrrolidinecarboxylate hydrochloride
CAS Number:
80028-44-0
Molecular Formula:
C7H14ClNO2
Molecular Weight:
179.6446
MDL Number:
MFCD14585012
IUPAC Name:
ethyl pyrrolidine-3-carboxylate;hydrochloride
InChI:
InChI=1S/C7H13NO2.ClH/c1-2-10-7(9)6-3-4-8-5-6;/h6,8H,2-5H2,1H3;1H
InChI Key:
AYYKCALHTPKNOI-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CNCC1.Cl
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.071g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.644g/mol
Monoisotopic Mass:
179.071g/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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