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88071-98-1 | Benzoic acid, 4-amino-3-(phenoxymethyl)-, methyl ester
CAS No: 88071-98-1 Catalog No: AG004KKH MDL No:
Product Description
Catalog Number:
AG004KKH
Chemical Name:
Benzoic acid, 4-amino-3-(phenoxymethyl)-, methyl ester
CAS Number:
88071-98-1
Molecular Formula:
C15H15NO3
Molecular Weight:
257.2845
IUPAC Name:
methyl 4-amino-3-(phenoxymethyl)benzoate
InChI:
InChI=1S/C15H15NO3/c1-18-15(17)11-7-8-14(16)12(9-11)10-19-13-5-3-2-4-6-13/h2-9H,10,16H2,1H3
InChI Key:
BGCNCSAPOZKJJP-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)COc1ccccc1)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:
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:
2.6
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