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809271-90-7 | Butanoic acid, (4E)-4-hexenyl ester
CAS No: 809271-90-7 Catalog No: AG005HVN MDL No:
Product Description
Catalog Number:
AG005HVN
Chemical Name:
Butanoic acid, (4E)-4-hexenyl ester
CAS Number:
809271-90-7
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
IUPAC Name:
hex-4-enyl butanoate
InChI:
InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3,5H,4,6-9H2,1-2H3
InChI Key:
IKWWFLZYECOJNB-UHFFFAOYSA-N
SMILES:
CCCC(=O)OCCC/C=C/C
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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