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138234-61-4 | 4-Octenoic acid, ethyl ester
CAS No: 138234-61-4 Catalog No: AG0018CV MDL No:
Product Description
Catalog Number:
AG0018CV
Chemical Name:
4-Octenoic acid, ethyl ester
CAS Number:
138234-61-4
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
IUPAC Name:
ethyl oct-4-enoate
InChI:
InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h6-7H,3-5,8-9H2,1-2H3
InChI Key:
WRUZCQAJIHSQPL-UHFFFAOYSA-N
SMILES:
CCCC=CCCC(=O)OCC
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:
2.7
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