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88453-54-7 | 1-Nonene-3,7-diol, diacetate
CAS No: 88453-54-7 Catalog No: AG004DZA MDL No:
Product Description
Catalog Number:
AG004DZA
Chemical Name:
1-Nonene-3,7-diol, diacetate
CAS Number:
88453-54-7
Molecular Formula:
C13H26O6
Molecular Weight:
278.3419
IUPAC Name:
acetic acid;non-1-ene-3,7-diol
InChI:
InChI=1S/C9H18O2.2C2H4O2/c1-3-8(10)6-5-7-9(11)4-2;2*1-2(3)4/h3,8-11H,1,4-7H2,2H3;2*1H3,(H,3,4)
InChI Key:
IQVRLKSXSMPKLD-UHFFFAOYSA-N
SMILES:
CC(=O)O.CC(=O)O.CCC(CCCC(C=C)O)O
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
278.345g/mol
Monoisotopic Mass:
278.173g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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