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1215980-81-6 | Benzoic acid, 4-amino-3-methoxy-, 1-methylethyl ester
CAS No: 1215980-81-6 Catalog No: AG01F86P MDL No:
Product Description
Catalog Number:
AG01F86P
Chemical Name:
Benzoic acid, 4-amino-3-methoxy-, 1-methylethyl ester
CAS Number:
1215980-81-6
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
IUPAC Name:
propan-2-yl 4-amino-3-methoxybenzoate
InChI:
InChI=1S/C11H15NO3/c1-7(2)15-11(13)8-4-5-9(12)10(6-8)14-3/h4-7H,12H2,1-3H3
InChI Key:
JMNWTWOPVVNJEE-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1N)C(=O)OC(C)C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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