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202131-32-6 | Benzenepropanoic acid, β-amino-3-phenoxy-
CAS No: 202131-32-6 Catalog No: AG00283F MDL No:MFCD00187204
Product Description
Catalog Number:
AG00283F
Chemical Name:
Benzenepropanoic acid, β-amino-3-phenoxy-
CAS Number:
202131-32-6
Molecular Formula:
C15H15NO3
Molecular Weight:
257.2845
MDL Number:
MFCD00187204
IUPAC Name:
3-amino-3-(3-phenoxyphenyl)propanoic acid
InChI:
InChI=1S/C15H15NO3/c16-14(10-15(17)18)11-5-4-8-13(9-11)19-12-6-2-1-3-7-12/h1-9,14H,10,16H2,(H,17,18)
InChI Key:
DOHHGYXZPWMNKT-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1cccc(c1)Oc1ccccc1)N
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.289g/mol
Monoisotopic Mass:
257.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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