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20602-31-7 | Propanedioic acid, 1,3-dipentyl ester
CAS No: 20602-31-7 Catalog No: AG002AHN MDL No:
Product Description
Catalog Number:
AG002AHN
Chemical Name:
Propanedioic acid, 1,3-dipentyl ester
CAS Number:
20602-31-7
Molecular Formula:
C13H24O4
Molecular Weight:
244.3273
IUPAC Name:
dipentyl propanedioate
InChI:
InChI=1S/C13H24O4/c1-3-5-7-9-16-12(14)11-13(15)17-10-8-6-4-2/h3-11H2,1-2H3
InChI Key:
MOJJCFBDUWMVJK-UHFFFAOYSA-N
SMILES:
CCCCCOC(=O)CC(=O)OCCCCC
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.167g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.331g/mol
Monoisotopic Mass:
244.167g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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