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1888799-31-2 | 2H-1,4-Benzoxazine, 3,4-dihydro-8-methoxy-, hydrochloride (1:1)
CAS No: 1888799-31-2 Catalog No: AG002HFV MDL No:
Product Description
Catalog Number:
AG002HFV
Chemical Name:
2H-1,4-Benzoxazine, 3,4-dihydro-8-methoxy-, hydrochloride (1:1)
CAS Number:
1888799-31-2
Molecular Formula:
C9H12ClNO2
Molecular Weight:
201.6501
IUPAC Name:
8-methoxy-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride
InChI:
InChI=1S/C9H11NO2.ClH/c1-11-8-4-2-3-7-9(8)12-6-5-10-7;/h2-4,10H,5-6H2,1H3;1H
InChI Key:
UTKLYGMBJIWWNR-UHFFFAOYSA-N
SMILES:
COc1cccc2c1OCCN2.Cl
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.65g/mol
Monoisotopic Mass:
201.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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