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121506-07-8

121506-07-8 | Benzoic acid, 4-(methylamino)-, 1-methylethyl ester

CAS No: 121506-07-8 Catalog No: AG00153I MDL No:

Product Description

Catalog Number:
AG00153I
Chemical Name:
Benzoic acid, 4-(methylamino)-, 1-methylethyl ester
CAS Number:
121506-07-8
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
IUPAC Name:
propan-2-yl 4-(methylamino)benzoate
InChI:
InChI=1S/C11H15NO2/c1-8(2)14-11(13)9-4-6-10(12-3)7-5-9/h4-8,12H,1-3H3
InChI Key:
BPHDRMPGYWHNSD-UHFFFAOYSA-N
SMILES:
CNc1ccc(cc1)C(=O)OC(C)C

Properties

Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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