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14144-56-0 | Propanoic acid, 3-(pentyloxy)-, pentyl ester
CAS No: 14144-56-0 Catalog No: AG001GE1 MDL No:
Product Description
Catalog Number:
AG001GE1
Chemical Name:
Propanoic acid, 3-(pentyloxy)-, pentyl ester
CAS Number:
14144-56-0
Molecular Formula:
C13H26O3
Molecular Weight:
230.3437
IUPAC Name:
pentyl 3-pentoxypropanoate
InChI:
InChI=1S/C13H26O3/c1-3-5-7-10-15-12-9-13(14)16-11-8-6-4-2/h3-12H2,1-2H3
InChI Key:
RKXNXNDZTMONTB-UHFFFAOYSA-N
SMILES:
CCCCCOCCC(=O)OCCCCC
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.188g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.348g/mol
Monoisotopic Mass:
230.188g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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