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821782-87-0 | 2-Octanol, 4-(2-methyl-1-propenylidene)-, (2S)-
CAS No: 821782-87-0 Catalog No: AG0057U3 MDL No:
Product Description
Catalog Number:
AG0057U3
Chemical Name:
2-Octanol, 4-(2-methyl-1-propenylidene)-, (2S)-
CAS Number:
821782-87-0
Molecular Formula:
C12H22O
Molecular Weight:
182.3025
IUPAC Name:
(2S)-4-(2-methylprop-1-enylidene)octan-2-ol
InChI:
InChI=1S/C12H22O/c1-5-6-7-12(8-10(2)3)9-11(4)13/h11,13H,5-7,9H2,1-4H3/t11-/m0/s1
InChI Key:
USCODUAOFINTNQ-NSHDSACASA-N
SMILES:
CCCCC(=C=C(C)C)C[C@@H](O)C
Properties
Complexity:
193
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
182.167g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.307g/mol
Monoisotopic Mass:
182.167g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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