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138685-40-2 | Heptanal, 2,2-dimethyl-3-oxo-
CAS No: 138685-40-2 Catalog No: AG00190K MDL No:
Product Description
Catalog Number:
AG00190K
Chemical Name:
Heptanal, 2,2-dimethyl-3-oxo-
CAS Number:
138685-40-2
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
2,2-dimethyl-3-oxoheptanal
InChI:
InChI=1S/C9H16O2/c1-4-5-6-8(11)9(2,3)7-10/h7H,4-6H2,1-3H3
InChI Key:
APWODUQJSIQOIQ-UHFFFAOYSA-N
SMILES:
CCCCC(=O)C(C=O)(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:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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