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190182-03-7 | Propanoic acid, 2-[4-(2-aminoethyl)phenoxy]-2-methyl-, methyl ester
CAS No: 190182-03-7 Catalog No: AG002EE8 MDL No:
Product Description
Catalog Number:
AG002EE8
Chemical Name:
Propanoic acid, 2-[4-(2-aminoethyl)phenoxy]-2-methyl-, methyl ester
CAS Number:
190182-03-7
Molecular Formula:
C13H19NO3
Molecular Weight:
237.2949
IUPAC Name:
methyl 2-[4-(2-aminoethyl)phenoxy]-2-methylpropanoate
InChI:
InChI=1S/C13H19NO3/c1-13(2,12(15)16-3)17-11-6-4-10(5-7-11)8-9-14/h4-7H,8-9,14H2,1-3H3
InChI Key:
ZHPJLBQLCHSICY-UHFFFAOYSA-N
SMILES:
NCCc1ccc(cc1)OC(C(=O)OC)(C)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.299g/mol
Monoisotopic Mass:
237.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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