Home Carboxys azepane-4-carboxylic acid hydrochloride

azepane-4-carboxylic acid hydrochloride

CAS No.:
1393449-23-4
Catalog Number:
AG00A1KO
Molecular Formula:
C7H14ClNO2
Molecular Weight:
179.6446
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Product Description
Catalog Number:
AG00A1KO
Chemical Name:
azepane-4-carboxylic acid hydrochloride
CAS Number:
1393449-23-4
Molecular Formula:
C7H14ClNO2
Molecular Weight:
179.6446
MDL Number:
MFCD24387387
IUPAC Name:
azepane-4-carboxylic acid;hydrochloride
InChI:
InChI=1S/C7H13NO2.ClH/c9-7(10)6-2-1-4-8-5-3-6;/h6,8H,1-5H2,(H,9,10);1H
InChI Key:
FFWLYUUJGYMITQ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCNCCC1.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:
3  
Isotope Atom Count:
0
Molecular Weight:
179.644g/mol
Monoisotopic Mass:
179.071g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties