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13018-37-6 | Phosphoric acid, trinonyl ester
CAS No: 13018-37-6 Catalog No: AG000U3H MDL No:
Product Description
Catalog Number:
AG000U3H
Chemical Name:
Phosphoric acid, trinonyl ester
CAS Number:
13018-37-6
Molecular Formula:
C27H57O4P
Molecular Weight:
476.7128
IUPAC Name:
trinonyl phosphate
InChI:
InChI=1S/C27H57O4P/c1-4-7-10-13-16-19-22-25-29-32(28,30-26-23-20-17-14-11-8-5-2)31-27-24-21-18-15-12-9-6-3/h4-27H2,1-3H3
InChI Key:
ZOPCDOGRWDSSDQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCOP(=O)(OCCCCCCCCC)OCCCCCCCCC
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
476.399g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
476.723g/mol
Monoisotopic Mass:
476.399g/mol
Rotatable Bond Count:
27
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.4
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