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31127-40-9 | 1,4-Benzodioxin-6-methanamine, 2,3-dihydro-, hydrochloride (1:1)
CAS No: 31127-40-9 Catalog No: AG00326G MDL No:MFCD08445280
Product Description
Catalog Number:
AG00326G
Chemical Name:
1,4-Benzodioxin-6-methanamine, 2,3-dihydro-, hydrochloride (1:1)
CAS Number:
31127-40-9
Molecular Formula:
C9H12ClNO2
Molecular Weight:
201.6501
MDL Number:
MFCD08445280
IUPAC Name:
2,3-dihydro-1,4-benzodioxin-6-ylmethanamine;hydrochloride
InChI:
InChI=1S/C9H11NO2.ClH/c10-6-7-1-2-8-9(5-7)12-4-3-11-8;/h1-2,5H,3-4,6,10H2;1H
InChI Key:
GVAPQIGVGPWPIN-UHFFFAOYSA-N
SMILES:
NCc1ccc2c(c1)OCCO2.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:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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