Home Carboxys 1,4-Oxazepane-2-carboxylic acid hydrochloride

1,4-Oxazepane-2-carboxylic acid hydrochloride

CAS No.:
1186663-62-6
Catalog Number:
AG003HDB
Molecular Formula:
C6H12ClNO3
Molecular Weight:
181.6174
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Product Description
Catalog Number:
AG003HDB
Chemical Name:
1,4-Oxazepane-2-carboxylic acid hydrochloride
CAS Number:
1186663-62-6
Molecular Formula:
C6H12ClNO3
Molecular Weight:
181.6174
MDL Number:
MFCD11656812
IUPAC Name:
1,4-oxazepane-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C6H11NO3.ClH/c8-6(9)5-4-7-2-1-3-10-5;/h5,7H,1-4H2,(H,8,9);1H
InChI Key:
VKTJIUXOZDVKNG-UHFFFAOYSA-N
SMILES:
OC(=O)C1CNCCCO1.Cl
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.051g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
181.616g/mol
Monoisotopic Mass:
181.051g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties