Home Carboxys 2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxylic acid hydrochloride

2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxylic acid hydrochloride

CAS No.:
1055879-22-5
Catalog Number:
AG01ELJB
Molecular Formula:
C10H12ClNO3
Molecular Weight:
229.6602
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Product Description
Catalog Number:
AG01ELJB
Chemical Name:
2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxylic acid hydrochloride
CAS Number:
1055879-22-5
Molecular Formula:
C10H12ClNO3
Molecular Weight:
229.6602
MDL Number:
MFCD31433984
IUPAC Name:
2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxylic acid;hydrochloride
InChI:
InChI=1S/C10H11NO3.ClH/c12-10(13)8-3-1-2-7-6-11-4-5-14-9(7)8;/h1-3,11H,4-6H2,(H,12,13);1H
InChI Key:
MNRQVSJCUNAEIA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1OCCNC2.Cl
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.051g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
229.66g/mol
Monoisotopic Mass:
229.051g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties