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84-61-7 | Dicyclohexyl phthalate
CAS No: 84-61-7 Catalog No: AG003PE3 MDL No:MFCD00003849
Product Description
Catalog Number:
AG003PE3
Chemical Name:
Dicyclohexyl phthalate
CAS Number:
84-61-7
Molecular Formula:
C20H26O4
Molecular Weight:
330.4180
MDL Number:
MFCD00003849
IUPAC Name:
dicyclohexyl benzene-1,2-dicarboxylate
InChI:
InChI=1S/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2
InChI Key:
VOWAEIGWURALJQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1C(=O)OC1CCCCC1)OC1CCCCC1
EC Number:
201-545-9
UNII:
CGD15M7H2N
NSC Number:
6101
RTECS Number:
TI0889000
UN Number:
3082
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.183g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.424g/mol
Monoisotopic Mass:
330.183g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
Literature
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|---|---|
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