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28987-17-9 | Phenol, nonyl-, barium salt (2:1)
CAS No: 28987-17-9 Catalog No: AG002V38 MDL No:
Product Description
Catalog Number:
AG002V38
Chemical Name:
Phenol, nonyl-, barium salt (2:1)
CAS Number:
28987-17-9
Molecular Formula:
C30H48BaO2
Molecular Weight:
578.0279
IUPAC Name:
barium(2+);2-nonylphenolate
InChI:
InChI=1S/2C15H24O.Ba/c2*1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;/h2*9-10,12-13,16H,2-8,11H2,1H3;/q;;+2/p-2
InChI Key:
SBMJKCDBJMFHGS-UHFFFAOYSA-L
SMILES:
CCCCCCCCCc1ccccc1O.CCCCCCCCCc1ccccc1O.[Ba]
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
576.255g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
576.023g/mol
Monoisotopic Mass:
576.255g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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