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88083-51-6 | 3-Nonanone, 7-ethoxy-4-(1-methylethyl)-
CAS No: 88083-51-6 Catalog No: AG004HNM MDL No:
Product Description
Catalog Number:
AG004HNM
Chemical Name:
3-Nonanone, 7-ethoxy-4-(1-methylethyl)-
CAS Number:
88083-51-6
Molecular Formula:
C14H28O2
Molecular Weight:
228.3709
IUPAC Name:
7-ethoxy-4-propan-2-ylnonan-3-one
InChI:
InChI=1S/C14H28O2/c1-6-12(16-8-3)9-10-13(11(4)5)14(15)7-2/h11-13H,6-10H2,1-5H3
InChI Key:
GCXWRCPJMIZIQH-UHFFFAOYSA-N
SMILES:
CCOC(CCC(C(=O)CC)C(C)C)CC
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.209g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.376g/mol
Monoisotopic Mass:
228.209g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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