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101959-30-2 | 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, tricosyl ester, (2E)-
CAS No: 101959-30-2 Catalog No: AG000638 MDL No:
Product Description
Catalog Number:
AG000638
Chemical Name:
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, tricosyl ester, (2E)-
CAS Number:
101959-30-2
Molecular Formula:
C33H56O4
Molecular Weight:
516.7953
IUPAC Name:
tricosyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
InChI:
InChI=1S/C33H56O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-37-33(35)27-25-30-24-26-31(34)32(29-30)36-2/h24-27,29,34H,3-23,28H2,1-2H3
InChI Key:
CEEUWLXYNIWFHF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(c(c1)OC)O
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
516.418g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
516.807g/mol
Monoisotopic Mass:
516.418g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
13.4
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