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116027-17-9 | Benzoic acid, 2-amino-5-(phenylmethoxy)-, methyl ester
CAS No: 116027-17-9 Catalog No: AG000BG7 MDL No:
Product Description
Catalog Number:
AG000BG7
Chemical Name:
Benzoic acid, 2-amino-5-(phenylmethoxy)-, methyl ester
CAS Number:
116027-17-9
Molecular Formula:
C15H15NO3
Molecular Weight:
257.2845
IUPAC Name:
methyl 2-amino-5-phenylmethoxybenzoate
InChI:
InChI=1S/C15H15NO3/c1-18-15(17)13-9-12(7-8-14(13)16)19-10-11-5-3-2-4-6-11/h2-9H,10,16H2,1H3
InChI Key:
UOZBJUJYWPIQTK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(OCc2ccccc2)ccc1N
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:
1
Isotope Atom Count:
0
Molecular Weight:
257.289g/mol
Monoisotopic Mass:
257.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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