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1516-17-2 | 2,4-Hexadien-1-ol, 1-acetate
CAS No: 1516-17-2 Catalog No: AG001NFW MDL No:
Product Description
Catalog Number:
AG001NFW
Chemical Name:
2,4-Hexadien-1-ol, 1-acetate
CAS Number:
1516-17-2
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
[(2E,4E)-hexa-2,4-dienyl] acetate
InChI:
InChI=1S/C8H12O2/c1-3-4-5-6-7-10-8(2)9/h3-6H,7H2,1-2H3/b4-3+,6-5+
InChI Key:
PXVKYPFROMBALG-VNKDHWASSA-N
SMILES:
CC=CC=CCOC(=O)C
EC Number:
216-163-8
UNII:
5416SJ1T8T
FEMA Number:
4132
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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