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29376-83-8 | 1-Tridecanol, 1-benzoate
CAS No: 29376-83-8 Catalog No: AG002Y84 MDL No:
Product Description
Catalog Number:
AG002Y84
Chemical Name:
1-Tridecanol, 1-benzoate
CAS Number:
29376-83-8
Molecular Formula:
C20H32O2
Molecular Weight:
304.4669
IUPAC Name:
benzoic acid;tridecan-1-ol
InChI:
InChI=1S/C13H28O.C7H6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;8-7(9)6-4-2-1-3-5-6/h14H,2-13H2,1H3;1-5H,(H,8,9)
InChI Key:
TXIVTRMFEJXGFH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCOC(=O)c1ccccc1
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.251g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.489g/mol
Monoisotopic Mass:
322.251g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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