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83959-30-2 | 5,7-Dodecadien-1-ol, propanoate, (E,Z)-
CAS No: 83959-30-2 Catalog No: AG0052SA MDL No:
Product Description
Catalog Number:
AG0052SA
Chemical Name:
5,7-Dodecadien-1-ol, propanoate, (E,Z)-
CAS Number:
83959-30-2
Molecular Formula:
C15H28O3
Molecular Weight:
256.3810
IUPAC Name:
dodeca-5,7-dien-1-ol;propanoic acid
InChI:
InChI=1S/C12H22O.C3H6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-3(4)5/h5-8,13H,2-4,9-12H2,1H3;2H2,1H3,(H,4,5)
InChI Key:
ZNAGCPHEJFWMQY-UHFFFAOYSA-N
SMILES:
CCC(=O)O.CCCC/C=C\C=C\CCCCO
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.204g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.386g/mol
Monoisotopic Mass:
256.204g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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