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BIS(2-ETHYLHEXYL)PHTHALATE (RING-D4)

CAS No.:
93951-87-2
Catalog Number:
AG00GRSC
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00GRSC
Chemical Name:
BIS(2-ETHYLHEXYL)PHTHALATE (RING-D4)
CAS Number:
93951-87-2
MDL Number:
MFCD00143759
IUPAC Name:
bis(2-ethylhexyl) 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
InChI:
InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3/i11D,12D,15D,16D
InChI Key:
BJQHLKABXJIVAM-SAQXESPHSA-N
Properties
Complexity:
394  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.302g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
4  
Molecular Weight:
394.588g/mol
Monoisotopic Mass:
394.302g/mol
Rotatable Bond Count:
16  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4  
Literature
Title Journal
Development of a personal dual-phase air sampling method for phthalate diesters. Journal of environmental monitoring : JEM 20100201
Properties