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741201-25-2 | 1,4-Benzodioxin-5-carboxylicacid, 6,7-diamino-2,3-dihydro-
CAS No: 741201-25-2 Catalog No: AG005HH4 MDL No:
Product Description
Catalog Number:
AG005HH4
Chemical Name:
1,4-Benzodioxin-5-carboxylicacid, 6,7-diamino-2,3-dihydro-
CAS Number:
741201-25-2
Molecular Formula:
C9H10N2O4
Molecular Weight:
210.1867
IUPAC Name:
6,7-diamino-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
InChI:
InChI=1S/C9H10N2O4/c10-4-3-5-8(15-2-1-14-5)6(7(4)11)9(12)13/h3H,1-2,10-11H2,(H,12,13)
InChI Key:
WIDYGVAVVRPVFO-UHFFFAOYSA-N
SMILES:
OC(=O)c1c2OCCOc2cc(c1N)N
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
210.189g/mol
Monoisotopic Mass:
210.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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