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128549-25-7 | 4-Penten-1-ol, 2-methyl-2-(phenylmethoxy)-, (S)- (9CI)
CAS No: 128549-25-7 Catalog No: AG000Y71 MDL No:
Product Description
Catalog Number:
AG000Y71
Chemical Name:
4-Penten-1-ol, 2-methyl-2-(phenylmethoxy)-, (S)- (9CI)
CAS Number:
128549-25-7
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
2-methyl-2-phenylmethoxypent-4-en-1-ol
InChI:
InChI=1S/C13H18O2/c1-3-9-13(2,11-14)15-10-12-7-5-4-6-8-12/h3-8,14H,1,9-11H2,2H3
InChI Key:
XKTIIZCNWMBLHI-UHFFFAOYSA-N
SMILES:
C=CC[C@](OCc1ccccc1)(CO)C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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