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1142210-96-5 | 5-(1,3-benzodioxol-5-yl)isoxazole-3-carbohydrazide
CAS No: 1142210-96-5 Catalog No: AG00JC8R MDL No:MFCD12028397
Product Description
Catalog Number:
AG00JC8R
Chemical Name:
5-(1,3-benzodioxol-5-yl)isoxazole-3-carbohydrazide
CAS Number:
1142210-96-5
Molecular Formula:
C11H9N3O4
Molecular Weight:
247.2069
MDL Number:
MFCD12028397
IUPAC Name:
5-(1,3-benzodioxol-5-yl)-1,2-oxazole-3-carbohydrazide
InChI:
InChI=1S/C11H9N3O4/c12-13-11(15)7-4-9(18-14-7)6-1-2-8-10(3-6)17-5-16-8/h1-4H,5,12H2,(H,13,15)
InChI Key:
XWVQJKDKMKCYBY-UHFFFAOYSA-N
SMILES:
NNC(=O)c1noc(c1)c1ccc2c(c1)OCO2
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.21g/mol
Monoisotopic Mass:
247.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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