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884495-35-6 | 6-Isopropoxynicotinaldehyde
CAS No: 884495-35-6 Catalog No: AG008CN7 MDL No:MFCD07368872
Product Description
Catalog Number:
AG008CN7
Chemical Name:
6-Isopropoxynicotinaldehyde
CAS Number:
884495-35-6
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD07368872
IUPAC Name:
6-propan-2-yloxypyridine-3-carbaldehyde
InChI:
InChI=1S/C9H11NO2/c1-7(2)12-9-4-3-8(6-11)5-10-9/h3-7H,1-2H3
InChI Key:
BNNHZEKFKMAUEZ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(nc1)OC(C)C
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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