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75157-67-4 | 1,5-Heptadien-1-ol, 2,6-dimethyl-, acetate
CAS No: 75157-67-4 Catalog No: AG005656 MDL No:
Product Description
Catalog Number:
AG005656
Chemical Name:
1,5-Heptadien-1-ol, 2,6-dimethyl-, acetate
CAS Number:
75157-67-4
Molecular Formula:
C11H20O3
Molecular Weight:
200.2747
IUPAC Name:
acetic acid;2,6-dimethylhepta-1,5-dien-1-ol
InChI:
InChI=1S/C9H16O.C2H4O2/c1-8(2)5-4-6-9(3)7-10;1-2(3)4/h5,7,10H,4,6H2,1-3H3;1H3,(H,3,4)
InChI Key:
SGONGMPHLNZAED-UHFFFAOYSA-N
SMILES:
CC(=O)O.OC=C(CCC=C(C)C)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.141g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.278g/mol
Monoisotopic Mass:
200.141g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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