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1448422-63-6 | "N'-hydroxy-2H-1,3-benzodioxole-5-carboximidamide"
CAS No: 1448422-63-6 Catalog No: AG01FMHU MDL No:MFCD00119015
Product Description
Catalog Number:
AG01FMHU
Chemical Name:
"N'-hydroxy-2H-1,3-benzodioxole-5-carboximidamide"
CAS Number:
1448422-63-6
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
MDL Number:
MFCD00119015
IUPAC Name:
N'-hydroxy-1,3-benzodioxole-5-carboximidamide
InChI:
InChI=1S/C8H8N2O3/c9-8(10-11)5-1-2-6-7(3-5)13-4-12-6/h1-3,11H,4H2,(H2,9,10)
InChI Key:
GZXSHCHKXXMZQP-UHFFFAOYSA-N
SMILES:
O/N=C(/c1ccc2c(c1)OCO2)\N
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
180.053g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.163g/mol
Monoisotopic Mass:
180.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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