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146513-39-5 | 3-Hexen-2-ol, 5-methyl-, 2-acetate, (3Z)-
CAS No: 146513-39-5 Catalog No: AG001E3O MDL No:
Product Description
Catalog Number:
AG001E3O
Chemical Name:
3-Hexen-2-ol, 5-methyl-, 2-acetate, (3Z)-
CAS Number:
146513-39-5
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
acetic acid;5-methylhex-3-en-2-ol
InChI:
InChI=1S/C7H14O.C2H4O2/c1-6(2)4-5-7(3)8;1-2(3)4/h4-8H,1-3H3;1H3,(H,3,4)
InChI Key:
STZQJNJXIUHBFN-UHFFFAOYSA-N
SMILES:
CC(=O)OC(/C=C\C(C)C)C
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.24g/mol
Monoisotopic Mass:
174.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
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