Home Carboxys methyl 7-methoxy-3,4,5,6-tetrahydro-2H-azepine-4-carboxylate

methyl 7-methoxy-3,4,5,6-tetrahydro-2H-azepine-4-carboxylate

CAS No.:
2138181-69-6
Catalog Number:
AG01E7RL
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01E7RL
Chemical Name:
methyl 7-methoxy-3,4,5,6-tetrahydro-2H-azepine-4-carboxylate
CAS Number:
2138181-69-6
MDL Number:
MFCD30631817
IUPAC Name:
methyl 7-methoxy-3,4,5,6-tetrahydro-2H-azepine-4-carboxylate
InChI:
InChI=1S/C9H15NO3/c1-12-8-4-3-7(5-6-10-8)9(11)13-2/h7H,3-6H2,1-2H3
InChI Key:
XNBKMIALBTWIAL-UHFFFAOYSA-N
Properties
Complexity:
213  
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:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.223g/mol
Monoisotopic Mass:
185.105g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties