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821782-71-2 | 7-Octen-3-ol, 5-ethenylidene-, acetate, (3R)-
CAS No: 821782-71-2 Catalog No: AG0057U8 MDL No:
Product Description
Catalog Number:
AG0057U8
Chemical Name:
7-Octen-3-ol, 5-ethenylidene-, acetate, (3R)-
CAS Number:
821782-71-2
Molecular Formula:
C12H20O3
Molecular Weight:
212.2854
IUPAC Name:
acetic acid;(3R)-5-ethenylideneoct-7-en-3-ol
InChI:
InChI=1S/C10H16O.C2H4O2/c1-4-7-9(5-2)8-10(11)6-3;1-2(3)4/h4,10-11H,1-2,6-8H2,3H3;1H3,(H,3,4)/t10-;/m1./s1
InChI Key:
NAUKPDHWHQLPCS-HNCPQSOCSA-N
SMILES:
CC(=O)O.CC[C@H](CC(=C=C)CC=C)O
Properties
Complexity:
195
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
212.141g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.289g/mol
Monoisotopic Mass:
212.141g/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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