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19825-93-5 | 3-Pentenoic acid, butyl ester
CAS No: 19825-93-5 Catalog No: AG002BEE MDL No:
Product Description
Catalog Number:
AG002BEE
Chemical Name:
3-Pentenoic acid, butyl ester
CAS Number:
19825-93-5
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
butyl pent-3-enoate
InChI:
InChI=1S/C9H16O2/c1-3-5-7-9(10)11-8-6-4-2/h3,5H,4,6-8H2,1-2H3
InChI Key:
OBCIYFQTMFZLEJ-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)CC=CC
Properties
Complexity:
128
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:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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