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88481-68-9 | 4-Penten-1-ol, 2-[(phenylmethoxy)methyl]-, (R)-
CAS No: 88481-68-9 Catalog No: AG0049I7 MDL No:
Product Description
Catalog Number:
AG0049I7
Chemical Name:
4-Penten-1-ol, 2-[(phenylmethoxy)methyl]-, (R)-
CAS Number:
88481-68-9
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
2-(phenylmethoxymethyl)pent-4-en-1-ol
InChI:
InChI=1S/C13H18O2/c1-2-6-13(9-14)11-15-10-12-7-4-3-5-8-12/h2-5,7-8,13-14H,1,6,9-11H2
InChI Key:
MXTGFAXDFRNQOY-UHFFFAOYSA-N
SMILES:
C=CC[C@@H](COCc1ccccc1)CO
Properties
Complexity:
162
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:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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