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191024-16-5 | 1,4-Benzodioxin-5-carboxylic acid, 8-amino-2,3-dihydro-, ethyl ester
CAS No: 191024-16-5 Catalog No: AG002EZQ MDL No:MFCD09261181
Product Description
Catalog Number:
AG002EZQ
Chemical Name:
1,4-Benzodioxin-5-carboxylic acid, 8-amino-2,3-dihydro-, ethyl ester
CAS Number:
191024-16-5
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
MDL Number:
MFCD09261181
IUPAC Name:
ethyl 5-amino-2,3-dihydro-1,4-benzodioxine-8-carboxylate
InChI:
InChI=1S/C11H13NO4/c1-2-14-11(13)7-3-4-8(12)10-9(7)15-5-6-16-10/h3-4H,2,5-6,12H2,1H3
InChI Key:
HLKRRQKWCIYCOW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c2c1OCCO2)N
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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