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124082-16-2 | Benzenepropanoic acid, β-amino-2-(phenylmethoxy)-
CAS No: 124082-16-2 Catalog No: AG000LK5 MDL No:
Product Description
Catalog Number:
AG000LK5
Chemical Name:
Benzenepropanoic acid, β-amino-2-(phenylmethoxy)-
CAS Number:
124082-16-2
Molecular Formula:
C16H17NO3
Molecular Weight:
271.3111
IUPAC Name:
3-amino-3-(2-phenylmethoxyphenyl)propanoic acid
InChI:
InChI=1S/C16H17NO3/c17-14(10-16(18)19)13-8-4-5-9-15(13)20-11-12-6-2-1-3-7-12/h1-9,14H,10-11,17H2,(H,18,19)
InChI Key:
BOZPYQOLYKYZBO-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1ccccc1OCc1ccccc1)N
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
271.316g/mol
Monoisotopic Mass:
271.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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