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19673-14-4 | Ethyl 5-oxoazepane-4-carboxylate HCl
CAS No: 19673-14-4 Catalog No: AG00395M MDL No:MFCD17392855
Product Description
Catalog Number:
AG00395M
Chemical Name:
Ethyl 5-oxoazepane-4-carboxylate HCl
CAS Number:
19673-14-4
Molecular Formula:
C9H16ClNO3
Molecular Weight:
221.6812
MDL Number:
MFCD17392855
IUPAC Name:
ethyl 5-oxoazepane-4-carboxylate;hydrochloride
InChI:
InChI=1S/C9H15NO3.ClH/c1-2-13-9(12)7-3-5-10-6-4-8(7)11;/h7,10H,2-6H2,1H3;1H
InChI Key:
LRGIOVMOANWHIT-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCNCCC1=O.Cl
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.082g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.681g/mol
Monoisotopic Mass:
221.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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