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88226-50-0 | 3-Nonanone, 4-[(acetyloxy)methyl]-
CAS No: 88226-50-0 Catalog No: AG004BF8 MDL No:
Product Description
Catalog Number:
AG004BF8
Chemical Name:
3-Nonanone, 4-[(acetyloxy)methyl]-
CAS Number:
88226-50-0
Molecular Formula:
C12H22O3
Molecular Weight:
214.3013
IUPAC Name:
2-propanoylheptyl acetate
InChI:
InChI=1S/C12H22O3/c1-4-6-7-8-11(12(14)5-2)9-15-10(3)13/h11H,4-9H2,1-3H3
InChI Key:
VQZNYXWDSBRCGL-UHFFFAOYSA-N
SMILES:
CCCCCC(C(=O)CC)COC(=O)C
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.157g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.305g/mol
Monoisotopic Mass:
214.157g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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