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101959-37-9 | 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, octacosyl ester, (2E)-
CAS No: 101959-37-9 Catalog No: AG000636 MDL No:MFCD03701757
Product Description
Catalog Number:
AG000636
Chemical Name:
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, octacosyl ester, (2E)-
CAS Number:
101959-37-9
Molecular Formula:
C38H66O4
Molecular Weight:
586.9282
MDL Number:
MFCD03701757
IUPAC Name:
octacosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
InChI:
InChI=1S/C38H66O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33-42-38(40)32-30-35-29-31-36(39)37(34-35)41-2/h29-32,34,39H,3-28,33H2,1-2H3/b32-30+
InChI Key:
PIGLOISSVVAGBD-NHQGMKOOSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(c(c1)OC)O
Properties
Complexity:
604
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
586.496g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
586.942g/mol
Monoisotopic Mass:
586.496g/mol
Rotatable Bond Count:
31
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
16.1
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