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117422-43-2 | 2H-1-Benzopyran-3-amine, 3,4-dihydro-5-methoxy-, hydrochloride (1:1)
CAS No: 117422-43-2 Catalog No: AG000EAE MDL No:MFCD18432506
Product Description
Catalog Number:
AG000EAE
Chemical Name:
2H-1-Benzopyran-3-amine, 3,4-dihydro-5-methoxy-, hydrochloride (1:1)
CAS Number:
117422-43-2
Molecular Formula:
C10H14ClNO2
Molecular Weight:
215.6767
MDL Number:
MFCD18432506
IUPAC Name:
5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride
InChI:
InChI=1S/C10H13NO2.ClH/c1-12-9-3-2-4-10-8(9)5-7(11)6-13-10;/h2-4,7H,5-6,11H2,1H3;1H
InChI Key:
IETVKUZKGGXYCM-UHFFFAOYSA-N
SMILES:
COc1cccc2c1CC(N)CO2.Cl
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.071g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.677g/mol
Monoisotopic Mass:
215.071g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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