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821782-92-7 | 1-Nonen-3-ol, 5-ethenylidene-, acetate, (3S)-
CAS No: 821782-92-7 Catalog No: AG005ISP MDL No:
Product Description
Catalog Number:
AG005ISP
Chemical Name:
1-Nonen-3-ol, 5-ethenylidene-, acetate, (3S)-
CAS Number:
821782-92-7
Molecular Formula:
C13H22O3
Molecular Weight:
226.3120
IUPAC Name:
acetic acid;(3S)-5-ethenylidenenon-1-en-3-ol
InChI:
InChI=1S/C11H18O.C2H4O2/c1-4-7-8-10(5-2)9-11(12)6-3;1-2(3)4/h6,11-12H,2-4,7-9H2,1H3;1H3,(H,3,4)/t11-;/m1./s1
InChI Key:
OPBAOJMCFPRSDJ-RFVHGSKJSA-N
SMILES:
CC(=O)O.CCCCC(=C=C)C[C@@H](C=C)O
Properties
Complexity:
207
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
226.157g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.316g/mol
Monoisotopic Mass:
226.157g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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