Home Carboxys 3,4-dihydro-2H-1,4-benzoxazine-8-carboxylic acid hydrochloride

3,4-dihydro-2H-1,4-benzoxazine-8-carboxylic acid hydrochloride

CAS No.:
1423032-17-0
Catalog Number:
AG01A2KK
Molecular Formula:
C9H10ClNO3
Molecular Weight:
215.6336
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Product Description
Catalog Number:
AG01A2KK
Chemical Name:
3,4-dihydro-2H-1,4-benzoxazine-8-carboxylic acid hydrochloride
CAS Number:
1423032-17-0
Molecular Formula:
C9H10ClNO3
Molecular Weight:
215.6336
MDL Number:
MFCD22578629
IUPAC Name:
3,4-dihydro-2H-1,4-benzoxazine-8-carboxylic acid;hydrochloride
InChI:
InChI=1S/C9H9NO3.ClH/c11-9(12)6-2-1-3-7-8(6)13-5-4-10-7;/h1-3,10H,4-5H2,(H,11,12);1H
InChI Key:
URRHEPFGYKFEOX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1OCCN2.Cl
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.035g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
215.633g/mol
Monoisotopic Mass:
215.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties