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141780-75-8 | 2-Propenoic acid, 3-(nonylphenoxy)propyl ester (9CI)
CAS No: 141780-75-8 Catalog No: AG001H66 MDL No:
Product Description
Catalog Number:
AG001H66
Chemical Name:
2-Propenoic acid, 3-(nonylphenoxy)propyl ester (9CI)
CAS Number:
141780-75-8
Molecular Formula:
C21H32O3
Molecular Weight:
332.4770
IUPAC Name:
3-(2-nonylphenoxy)propyl prop-2-enoate
InChI:
InChI=1S/C21H32O3/c1-3-5-6-7-8-9-10-14-19-15-11-12-16-20(19)23-17-13-18-24-21(22)4-2/h4,11-12,15-16H,2-3,5-10,13-14,17-18H2,1H3
InChI Key:
MABCWYKKEKYPAO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCc1ccccc1OCCCOC(=O)C=C
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.235g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.484g/mol
Monoisotopic Mass:
332.235g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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