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79421-89-9 | 1,7-Octadien-3-ol, 6-chloro-3,7-dimethyl-, acetate
CAS No: 79421-89-9 Catalog No: AG005K3R MDL No:
Product Description
Catalog Number:
AG005K3R
Chemical Name:
1,7-Octadien-3-ol, 6-chloro-3,7-dimethyl-, acetate
CAS Number:
79421-89-9
Molecular Formula:
C12H21ClO3
Molecular Weight:
248.7463
IUPAC Name:
acetic acid;6-chloro-3,7-dimethylocta-1,7-dien-3-ol
InChI:
InChI=1S/C10H17ClO.C2H4O2/c1-5-10(4,12)7-6-9(11)8(2)3;1-2(3)4/h5,9,12H,1-2,6-7H2,3-4H3;1H3,(H,3,4)
InChI Key:
HFIWTJCVGDAENF-UHFFFAOYSA-N
SMILES:
CC(=O)O.C=CC(CCC(C(=C)C)Cl)(O)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.118g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.747g/mol
Monoisotopic Mass:
248.118g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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