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310466-21-8 | 1,3-BENZODIOXOLE-5-ETHANIMIDAMIDE
CAS No: 310466-21-8 Catalog No: AG0031ZP MDL No:MFCD03426119
Product Description
Catalog Number:
AG0031ZP
Chemical Name:
1,3-BENZODIOXOLE-5-ETHANIMIDAMIDE
CAS Number:
310466-21-8
Molecular Formula:
C9H10N2O2
Molecular Weight:
178.1879
MDL Number:
MFCD03426119
IUPAC Name:
2-(1,3-benzodioxol-5-yl)ethanimidamide
InChI:
InChI=1S/C9H10N2O2/c10-9(11)4-6-1-2-7-8(3-6)13-5-12-7/h1-3H,4-5H2,(H3,10,11)
InChI Key:
JAAMYYCAHSQEPC-UHFFFAOYSA-N
SMILES:
NC(=N)Cc1ccc2c(c1)OCO2
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.191g/mol
Monoisotopic Mass:
178.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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