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102702-75-0 | 1-Pentadecanol, 1-benzoate
CAS No: 102702-75-0 Catalog No: AG000865 MDL No:
Product Description
Catalog Number:
AG000865
Chemical Name:
1-Pentadecanol, 1-benzoate
CAS Number:
102702-75-0
Molecular Formula:
C22H36O2
Molecular Weight:
332.5200
IUPAC Name:
benzoic acid;pentadecan-1-ol
InChI:
InChI=1S/C15H32O.C7H6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16;8-7(9)6-4-2-1-3-5-6/h16H,2-15H2,1H3;1-5H,(H,8,9)
InChI Key:
QWWMHNUVALYKSF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCOC(=O)c1ccccc1
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.282g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
350.543g/mol
Monoisotopic Mass:
350.282g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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