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1215074-48-8 | Benzoic acid, 4-amino-2-methoxy-, 1,1-dimethylethyl ester
CAS No: 1215074-48-8 Catalog No: AG001542 MDL No:
Product Description
Catalog Number:
AG001542
Chemical Name:
Benzoic acid, 4-amino-2-methoxy-, 1,1-dimethylethyl ester
CAS Number:
1215074-48-8
Molecular Formula:
C12H17NO3
Molecular Weight:
223.2683
IUPAC Name:
tert-butyl 4-amino-2-methoxybenzoate
InChI:
InChI=1S/C12H17NO3/c1-12(2,3)16-11(14)9-6-5-8(13)7-10(9)15-4/h5-7H,13H2,1-4H3
InChI Key:
BZXSOMGDXLCMQF-UHFFFAOYSA-N
SMILES:
COc1cc(N)ccc1C(=O)OC(C)(C)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.272g/mol
Monoisotopic Mass:
223.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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