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14369-94-9 | Heptanoic acid, 4-oxo-, ethyl ester
CAS No: 14369-94-9 Catalog No: AG001I6S MDL No:MFCD01320347
Product Description
Catalog Number:
AG001I6S
Chemical Name:
Heptanoic acid, 4-oxo-, ethyl ester
CAS Number:
14369-94-9
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
MDL Number:
MFCD01320347
IUPAC Name:
ethyl 4-oxoheptanoate
InChI:
InChI=1S/C9H16O3/c1-3-5-8(10)6-7-9(11)12-4-2/h3-7H2,1-2H3
InChI Key:
UEHFASAMWCNVSV-UHFFFAOYSA-N
SMILES:
CCCC(=O)CCC(=O)OCC
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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