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123968-25-2 | 2-Propenoic acid, 2-[1-[3,5-bis(1,1-dimethylpropyl)-2-hydroxyphenyl]ethyl]-4,6-bis(1,1-dimethylpropyl)phenyl ester
CAS No: 123968-25-2 Catalog No: AG000LAY MDL No:
Product Description
Catalog Number:
AG000LAY
Chemical Name:
2-Propenoic acid, 2-[1-[3,5-bis(1,1-dimethylpropyl)-2-hydroxyphenyl]ethyl]-4,6-bis(1,1-dimethylpropyl)phenyl ester
CAS Number:
123968-25-2
Molecular Formula:
C37H56O3
Molecular Weight:
548.8387
IUPAC Name:
[2-[1-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]ethyl]-4,6-bis(2-methylbutan-2-yl)phenyl] prop-2-enoate
InChI:
InChI=1S/C37H56O3/c1-15-31(38)40-33-28(21-26(35(9,10)17-3)23-30(33)37(13,14)19-5)24(6)27-20-25(34(7,8)16-2)22-29(32(27)39)36(11,12)18-4/h15,20-24,39H,1,16-19H2,2-14H3
InChI Key:
STLLXWLDRUVCHL-UHFFFAOYSA-N
SMILES:
C=CC(=O)Oc1c(cc(cc1C(CC)(C)C)C(CC)(C)C)C(c1cc(cc(c1O)C(CC)(C)C)C(CC)(C)C)C
EC Number:
413-850-6
Properties
Complexity:
836
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
548.423g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
548.852g/mol
Monoisotopic Mass:
548.423g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
13
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