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20279-49-6 | Pentanoic acid, 4-oxo-, pentyl ester
CAS No: 20279-49-6 Catalog No: AG0028EQ MDL No:
Product Description
Catalog Number:
AG0028EQ
Chemical Name:
Pentanoic acid, 4-oxo-, pentyl ester
CAS Number:
20279-49-6
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
IUPAC Name:
pentyl 4-oxopentanoate
InChI:
InChI=1S/C10H18O3/c1-3-4-5-8-13-10(12)7-6-9(2)11/h3-8H2,1-2H3
InChI Key:
NLDFWNCRMVSDMC-UHFFFAOYSA-N
SMILES:
CCCCCOC(=O)CCC(=O)C
EC Number:
243-675-9
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.126g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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