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821782-76-7 | 3-Nonanol, 5-(2-methyl-1-propenylidene)-, (3S)-
CAS No: 821782-76-7 Catalog No: AG005IST MDL No:
Product Description
Catalog Number:
AG005IST
Chemical Name:
3-Nonanol, 5-(2-methyl-1-propenylidene)-, (3S)-
CAS Number:
821782-76-7
Molecular Formula:
C13H24O
Molecular Weight:
196.3291
IUPAC Name:
(3S)-5-(2-methylprop-1-enylidene)nonan-3-ol
InChI:
InChI=1S/C13H24O/c1-5-7-8-12(9-11(3)4)10-13(14)6-2/h13-14H,5-8,10H2,1-4H3/t13-/m0/s1
InChI Key:
OADQQRRDTWDLND-ZDUSSCGKSA-N
SMILES:
CCCCC(=C=C(C)C)C[C@H](CC)O
Properties
Complexity:
205
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
196.183g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.334g/mol
Monoisotopic Mass:
196.183g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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