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75749-00-7 | 4,4-DiMethyl-1-(3-pyridyl)pentan-3-one
CAS No: 75749-00-7 Catalog No: AG00GG7I MDL No:MFCD00796616
Product Description
Catalog Number:
AG00GG7I
Chemical Name:
4,4-DiMethyl-1-(3-pyridyl)pentan-3-one
CAS Number:
75749-00-7
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
MDL Number:
MFCD00796616
IUPAC Name:
4,4-dimethyl-1-pyridin-3-ylpentan-3-one
InChI:
InChI=1S/C12H17NO/c1-12(2,3)11(14)7-6-10-5-4-8-13-9-10/h4-5,8-9H,6-7H2,1-3H3
InChI Key:
FYUWCKNIGYMKSX-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)CCc1cccnc1
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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