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88072-00-8 | Benzoic acid, 2-amino-5-(phenoxymethyl)-, 1,1-dimethylethyl ester
CAS No: 88072-00-8 Catalog No: AG004KKG MDL No:
Product Description
Catalog Number:
AG004KKG
Chemical Name:
Benzoic acid, 2-amino-5-(phenoxymethyl)-, 1,1-dimethylethyl ester
CAS Number:
88072-00-8
Molecular Formula:
C18H21NO3
Molecular Weight:
299.3642
IUPAC Name:
tert-butyl 2-amino-5-(phenoxymethyl)benzoate
InChI:
InChI=1S/C18H21NO3/c1-18(2,3)22-17(20)15-11-13(9-10-16(15)19)12-21-14-7-5-4-6-8-14/h4-11H,12,19H2,1-3H3
InChI Key:
IJWVHBHTFYXGMU-UHFFFAOYSA-N
SMILES:
O=C(c1cc(COc2ccccc2)ccc1N)OC(C)(C)C
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.152g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.37g/mol
Monoisotopic Mass:
299.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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