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19008-43-6

19008-43-6 | Benzoic acid, 4-amino-, phenylmethyl ester

CAS No: 19008-43-6 Catalog No: AG002EBP MDL No:

Product Description

Catalog Number:
AG002EBP
Chemical Name:
Benzoic acid, 4-amino-, phenylmethyl ester
CAS Number:
19008-43-6
Molecular Formula:
C14H13NO2
Molecular Weight:
227.2585
IUPAC Name:
benzyl 4-aminobenzoate
InChI:
InChI=1S/C14H13NO2/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9H,10,15H2
InChI Key:
DAOPOOMCXJPWPK-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)C(=O)OCc1ccccc1
EC Number:
242-741-4
UNII:
QY5LYM6X12
NSC Number:
30685

Properties

Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.095g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.263g/mol
Monoisotopic Mass:
227.095g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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