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113805-36-0 | Pentanoic acid, 2-propyl-, 2-(acetyloxy)ethyl ester
CAS No: 113805-36-0 Catalog No: AG0009QZ MDL No:
Product Description
Catalog Number:
AG0009QZ
Chemical Name:
Pentanoic acid, 2-propyl-, 2-(acetyloxy)ethyl ester
CAS Number:
113805-36-0
Molecular Formula:
C12H22O4
Molecular Weight:
230.3007
IUPAC Name:
2-acetyloxyethyl 2-propylpentanoate
InChI:
InChI=1S/C12H22O4/c1-4-6-11(7-5-2)12(14)16-9-8-15-10(3)13/h11H,4-9H2,1-3H3
InChI Key:
OYAQPEGBLWZRHQ-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)OCCOC(=O)C)CCC
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.304g/mol
Monoisotopic Mass:
230.152g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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