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Home > Aldehydes > 185682-81-9
185682-81-9 | 5-(1,1-dimethylethyl)-2-pyridinecarboxaldehyde
CAS No: 185682-81-9 Catalog No: AG01EM77 MDL No:MFCD18254144
Product Description
Catalog Number:
AG01EM77
Chemical Name:
5-(1,1-dimethylethyl)-2-pyridinecarboxaldehyde
CAS Number:
185682-81-9
Molecular Formula:
C10H13NO
Molecular Weight:
163.2163
MDL Number:
MFCD18254144
IUPAC Name:
5-tert-butylpyridine-2-carbaldehyde
InChI:
InChI=1S/C10H13NO/c1-10(2,3)8-4-5-9(7-12)11-6-8/h4-7H,1-3H3
InChI Key:
PGCAICQUZZLERV-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cn1)C(C)(C)C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.22g/mol
Monoisotopic Mass:
163.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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