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121506-09-0 | Benzoic acid, 4-(methylamino)-, 1,1-dimethylethyl ester
CAS No: 121506-09-0 Catalog No: AG00153H MDL No:
Product Description
Catalog Number:
AG00153H
Chemical Name:
Benzoic acid, 4-(methylamino)-, 1,1-dimethylethyl ester
CAS Number:
121506-09-0
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
IUPAC Name:
tert-butyl 4-(methylamino)benzoate
InChI:
InChI=1S/C12H17NO2/c1-12(2,3)15-11(14)9-5-7-10(13-4)8-6-9/h5-8,13H,1-4H3
InChI Key:
ZCMMQKVHAWGLGE-UHFFFAOYSA-N
SMILES:
CNc1ccc(cc1)C(=O)OC(C)(C)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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