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71172-53-7 | 2-Hexene-1,6-diol,2,5-dimethyl-, 1,6-diacetate
CAS No: 71172-53-7 Catalog No: AG005KLR MDL No:
Product Description
Catalog Number:
AG005KLR
Chemical Name:
2-Hexene-1,6-diol,2,5-dimethyl-, 1,6-diacetate
CAS Number:
71172-53-7
Molecular Formula:
C12H24O6
Molecular Weight:
264.3154
IUPAC Name:
acetic acid;2,5-dimethylhex-2-ene-1,6-diol
InChI:
InChI=1S/C8H16O2.2C2H4O2/c1-7(5-9)3-4-8(2)6-10;2*1-2(3)4/h3,8-10H,4-6H2,1-2H3;2*1H3,(H,3,4)
InChI Key:
WDFNNSIVYMBVEA-UHFFFAOYSA-N
SMILES:
CC(=O)O.CC(=O)O.OCC(CC=C(CO)C)C
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
264.318g/mol
Monoisotopic Mass:
264.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
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