Home Carboxys ethyl 7-oxoazepane-4-carboxylate

ethyl 7-oxoazepane-4-carboxylate

CAS No.:
476663-08-8
Catalog Number:
AG00J7ZE
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
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Product Description
Catalog Number:
AG00J7ZE
Chemical Name:
ethyl 7-oxoazepane-4-carboxylate
CAS Number:
476663-08-8
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
MDL Number:
MFCD24609143
IUPAC Name:
ethyl 7-oxoazepane-4-carboxylate
InChI:
InChI=1S/C9H15NO3/c1-2-13-9(12)7-3-4-8(11)10-6-5-7/h7H,2-6H2,1H3,(H,10,11)
InChI Key:
BHJUKJJFFYENMQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCNC(=O)CC1
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.105g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.223g/mol
Monoisotopic Mass:
185.105g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties