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100111-41-9 | 2-Propenoic acid, 2-methyl-, 11-(2,5-dihydroxyphenyl)undecyl ester
CAS No: 100111-41-9 Catalog No: AG0000ZG MDL No:
Product Description
Catalog Number:
AG0000ZG
Chemical Name:
2-Propenoic acid, 2-methyl-, 11-(2,5-dihydroxyphenyl)undecyl ester
CAS Number:
100111-41-9
Molecular Formula:
C21H32O4
Molecular Weight:
348.4764
IUPAC Name:
11-(2,5-dihydroxyphenyl)undecyl 2-methylprop-2-enoate
InChI:
InChI=1S/C21H32O4/c1-17(2)21(24)25-15-11-9-7-5-3-4-6-8-10-12-18-16-19(22)13-14-20(18)23/h13-14,16,22-23H,1,3-12,15H2,2H3
InChI Key:
CXISRQNDRLBAGW-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)CCCCCCCCCCCOC(=O)C(=C)C)O
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.23g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
348.483g/mol
Monoisotopic Mass:
348.23g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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