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113736-30-4 | 2-Propenoic acid, 3,3'-(1,4-phenylene)bis-, ditetradecyl ester (9CI)
CAS No: 113736-30-4 Catalog No: AG0009HW MDL No:
Product Description
Catalog Number:
AG0009HW
Chemical Name:
2-Propenoic acid, 3,3'-(1,4-phenylene)bis-, ditetradecyl ester (9CI)
CAS Number:
113736-30-4
Molecular Formula:
C40H66O4
Molecular Weight:
610.9496
IUPAC Name:
tetradecyl 3-[4-(3-oxo-3-tetradecoxyprop-1-enyl)phenyl]prop-2-enoate
InChI:
InChI=1S/C40H66O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-35-43-39(41)33-31-37-27-29-38(30-28-37)32-34-40(42)44-36-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-34H,3-26,35-36H2,1-2H3
InChI Key:
UEMHYDACGBTCPZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCOC(=O)C=Cc1ccc(cc1)C=CC(=O)OCCCCCCCCCCCCCC
Properties
Complexity:
644
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
610.496g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
610.964g/mol
Monoisotopic Mass:
610.496g/mol
Rotatable Bond Count:
32
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
15.8
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