Home Aminos 2-amino-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoic acid hydrochloride

2-amino-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoic acid hydrochloride

CAS No.:
1786258-01-2
Catalog Number:
AG01B1BS
Molecular Formula:
C12H16ClNO4
Molecular Weight:
273.7127
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Product Description
Catalog Number:
AG01B1BS
Chemical Name:
2-amino-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoic acid hydrochloride
CAS Number:
1786258-01-2
Molecular Formula:
C12H16ClNO4
Molecular Weight:
273.7127
MDL Number:
MFCD28012191
IUPAC Name:
2-amino-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoic acid;hydrochloride
InChI:
InChI=1S/C12H15NO4.ClH/c13-9(12(14)15)6-8-2-3-10-11(7-8)17-5-1-4-16-10;/h2-3,7,9H,1,4-6,13H2,(H,14,15);1H
InChI Key:
DGVNIJFYFMRBBB-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1ccc2c(c1)OCCCO2)N.Cl
Properties
Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.077g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
273.713g/mol
Monoisotopic Mass:
273.077g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties