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885278-10-4 | 2-Isopropoxynicotinaldehyde
CAS No: 885278-10-4 Catalog No: AG0036A9 MDL No:MFCD06804560
Product Description
Catalog Number:
AG0036A9
Chemical Name:
2-Isopropoxynicotinaldehyde
CAS Number:
885278-10-4
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD06804560
IUPAC Name:
2-propan-2-yloxypyridine-3-carbaldehyde
InChI:
InChI=1S/C9H11NO2/c1-7(2)12-9-8(6-11)4-3-5-10-9/h3-7H,1-2H3
InChI Key:
GNTQOKGIVMJHQG-UHFFFAOYSA-N
SMILES:
O=Cc1cccnc1OC(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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