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Home > Aldehydes > 944901-78-4
944901-78-4 | 3-tert-butyl-1,2,4-oxadiazole-5-carbaldehyde
CAS No: 944901-78-4 Catalog No: AG01A6NJ MDL No:MFCD10696396
Product Description
Catalog Number:
AG01A6NJ
Chemical Name:
3-tert-butyl-1,2,4-oxadiazole-5-carbaldehyde
CAS Number:
944901-78-4
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
MDL Number:
MFCD10696396
IUPAC Name:
3-tert-butyl-1,2,4-oxadiazole-5-carbaldehyde
InChI:
InChI=1S/C7H10N2O2/c1-7(2,3)6-8-5(4-10)11-9-6/h4H,1-3H3
InChI Key:
ZXMHWUNNOCJLSB-UHFFFAOYSA-N
SMILES:
O=Cc1onc(n1)C(C)(C)C
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.169g/mol
Monoisotopic Mass:
154.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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