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130675-15-9

130675-15-9 | Octanal, 3-ethenyl-7-hydroxy-3,7-dimethyl-, (R)- (9CI)

CAS No: 130675-15-9 Catalog No: AG000USU MDL No:

Product Description

Catalog Number:
AG000USU
Chemical Name:
Octanal, 3-ethenyl-7-hydroxy-3,7-dimethyl-, (R)- (9CI)
CAS Number:
130675-15-9
Molecular Formula:
C12H22O2
Molecular Weight:
198.3019
IUPAC Name:
3-ethenyl-7-hydroxy-3,7-dimethyloctanal
InChI:
InChI=1S/C12H22O2/c1-5-12(4,9-10-13)8-6-7-11(2,3)14/h5,10,14H,1,6-9H2,2-4H3
InChI Key:
RMSSTDDQDYGBHH-UHFFFAOYSA-N
SMILES:
O=CC[C@@](CCCC(O)(C)C)(C=C)C

Properties

Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.162g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
198.306g/mol
Monoisotopic Mass:
198.162g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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