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23163-06-6

23163-06-6 | 3-Butenoic acid, pentyl ester

CAS No: 23163-06-6 Catalog No: AG002MFF MDL No:

Product Description

Catalog Number:
AG002MFF
Chemical Name:
3-Butenoic acid, pentyl ester
CAS Number:
23163-06-6
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
pentyl but-3-enoate
InChI:
InChI=1S/C9H16O2/c1-3-5-6-8-11-9(10)7-4-2/h4H,2-3,5-8H2,1H3
InChI Key:
BUSVERZYRXOWCB-UHFFFAOYSA-N
SMILES:
CCCCCOC(=O)CC=C

Properties

Complexity:
119  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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