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106-30-9 | Ethyl heptanoate
CAS No: 106-30-9 Catalog No: AG003QF7 MDL No:MFCD00009538
Product Description
Catalog Number:
AG003QF7
Chemical Name:
Ethyl heptanoate
CAS Number:
106-30-9
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
MDL Number:
MFCD00009538
IUPAC Name:
ethyl heptanoate
InChI:
InChI=1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3
InChI Key:
TVQGDYNRXLTQAP-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)OCC
EC Number:
203-382-9
UNII:
45R404Y5X8
NSC Number:
8891
FEMA Number:
2437
Properties
Complexity:
99.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.131g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.241g/mol
Monoisotopic Mass:
158.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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