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101032-44-4 | 4,6-Heptadien-1-ol, methanesulfonate, (E)- (9CI)
CAS No: 101032-44-4 Catalog No: AG0003LB MDL No:
Product Description
Catalog Number:
AG0003LB
Chemical Name:
4,6-Heptadien-1-ol, methanesulfonate, (E)- (9CI)
CAS Number:
101032-44-4
Molecular Formula:
C8H14O3S
Molecular Weight:
190.2600
IUPAC Name:
hepta-4,6-dien-1-ol;methanesulfonic acid
InChI:
InChI=1S/C7H12O.CH4O3S/c1-2-3-4-5-6-7-8;1-5(2,3)4/h2-4,8H,1,5-7H2;1H3,(H,2,3,4)
InChI Key:
QSHDOINSSSAUFI-UHFFFAOYSA-N
SMILES:
C=C/C=C/CCCOS(=O)(=O)C
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.077g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.272g/mol
Monoisotopic Mass:
208.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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