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71487-16-6 | 4-Penten-1-ol,3-methyl-, 1-acetate
CAS No: 71487-16-6 Catalog No: AG005HPM MDL No:
Product Description
Catalog Number:
AG005HPM
Chemical Name:
4-Penten-1-ol,3-methyl-, 1-acetate
CAS Number:
71487-16-6
Molecular Formula:
C8H16O3
Molecular Weight:
160.2108
IUPAC Name:
3-methylpent-4-enyl acetate
InChI:
InChI=1S/C8H14O2/c1-4-7(2)5-6-10-8(3)9/h4,7H,1,5-6H2,2-3H3
InChI Key:
KZUOLSGYSYIQHE-UHFFFAOYSA-N
SMILES:
CC(C=C)CCO.CC(=O)O
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.099g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.198g/mol
Monoisotopic Mass:
142.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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