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140627-12-9 | 2-Propenoic acid, 2-methyl-, 3-(4-aminophenoxy)-2-hydroxypropyl ester
CAS No: 140627-12-9 Catalog No: AG001CKR MDL No:
Product Description
Catalog Number:
AG001CKR
Chemical Name:
2-Propenoic acid, 2-methyl-, 3-(4-aminophenoxy)-2-hydroxypropyl ester
CAS Number:
140627-12-9
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
IUPAC Name:
[3-(4-aminophenoxy)-2-hydroxypropyl] 2-methylprop-2-enoate
InChI:
InChI=1S/C13H17NO4/c1-9(2)13(16)18-8-11(15)7-17-12-5-3-10(14)4-6-12/h3-6,11,15H,1,7-8,14H2,2H3
InChI Key:
INKDXWCRVRQFLY-UHFFFAOYSA-N
SMILES:
OC(COC(=O)C(=C)C)COc1ccc(cc1)N
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.282g/mol
Monoisotopic Mass:
251.116g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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