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89555-21-5 | 4-Decen-2-ol, 1-(phenylmethoxy)-, acetate, (Z)-
CAS No: 89555-21-5 Catalog No: AG003YCW MDL No:
Product Description
Catalog Number:
AG003YCW
Chemical Name:
4-Decen-2-ol, 1-(phenylmethoxy)-, acetate, (Z)-
CAS Number:
89555-21-5
Molecular Formula:
C19H30O4
Molecular Weight:
322.4391
IUPAC Name:
acetic acid;1-phenylmethoxydec-4-en-2-ol
InChI:
InChI=1S/C17H26O2.C2H4O2/c1-2-3-4-5-6-10-13-17(18)15-19-14-16-11-8-7-9-12-16;1-2(3)4/h6-12,17-18H,2-5,13-15H2,1H3;1H3,(H,3,4)
InChI Key:
VEADPUBXEAUHIE-UHFFFAOYSA-N
SMILES:
CC(=O)O.CCCCC/C=C\CC(COCc1ccccc1)O
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.214g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.445g/mol
Monoisotopic Mass:
322.214g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
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