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123330-92-7 | Benzoic acid, 4-amino-3-methoxy-, 1,1-dimethylethyl ester
CAS No: 123330-92-7 Catalog No: AG000KCY MDL No:MFCD08703410
Product Description
Catalog Number:
AG000KCY
Chemical Name:
Benzoic acid, 4-amino-3-methoxy-, 1,1-dimethylethyl ester
CAS Number:
123330-92-7
Molecular Formula:
C12H17NO3
Molecular Weight:
223.2683
MDL Number:
MFCD08703410
IUPAC Name:
tert-butyl 4-amino-3-methoxybenzoate
InChI:
InChI=1S/C12H17NO3/c1-12(2,3)16-11(14)8-5-6-9(13)10(7-8)15-4/h5-7H,13H2,1-4H3
InChI Key:
CCWIQTOOCXIQME-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1N)C(=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:
2.1
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