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89637-68-3 | 2,6-Nonadien-1-ol, 9-(3,3-dimethyloxiranyl)-3,7-dimethyl-, benzoate
CAS No: 89637-68-3 Catalog No: AG003WIC MDL No:
Product Description
Catalog Number:
AG003WIC
Chemical Name:
2,6-Nonadien-1-ol, 9-(3,3-dimethyloxiranyl)-3,7-dimethyl-, benzoate
CAS Number:
89637-68-3
Molecular Formula:
C22H32O4
Molecular Weight:
360.4871
IUPAC Name:
benzoic acid;9-(3,3-dimethyloxiran-2-yl)-3,7-dimethylnona-2,6-dien-1-ol
InChI:
InChI=1S/C15H26O2.C7H6O2/c1-12(6-5-7-13(2)10-11-16)8-9-14-15(3,4)17-14;8-7(9)6-4-2-1-3-5-6/h6,10,14,16H,5,7-9,11H2,1-4H3;1-5H,(H,8,9)
InChI Key:
SIEQOWROIJWGRI-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1.OCC=C(CCC=C(CCC1OC1(C)C)C)C
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.23g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
360.494g/mol
Monoisotopic Mass:
360.23g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
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