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821782-85-8 | 2-Octanol, 4-ethenylidene-, acetate, (2R)-
CAS No: 821782-85-8 Catalog No: AG0057U5 MDL No:
Product Description
Catalog Number:
AG0057U5
Chemical Name:
2-Octanol, 4-ethenylidene-, acetate, (2R)-
CAS Number:
821782-85-8
Molecular Formula:
C12H22O3
Molecular Weight:
214.3013
IUPAC Name:
acetic acid;(2R)-4-ethenylideneoctan-2-ol
InChI:
InChI=1S/C10H18O.C2H4O2/c1-4-6-7-10(5-2)8-9(3)11;1-2(3)4/h9,11H,2,4,6-8H2,1,3H3;1H3,(H,3,4)/t9-;/m1./s1
InChI Key:
WDEFJQJOEWYFGP-SBSPUUFOSA-N
SMILES:
CC(=O)O.CCCCC(=C=C)C[C@H](O)C
Properties
Complexity:
174
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
214.157g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.305g/mol
Monoisotopic Mass:
214.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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