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139259-94-2 | Acetic acid, benzoyl[(4-methylphenyl)methoxy]azanyl ester
CAS No: 139259-94-2 Catalog No: AG001AKI MDL No:
Product Description
Catalog Number:
AG001AKI
Chemical Name:
Acetic acid, benzoyl[(4-methylphenyl)methoxy]azanyl ester
CAS Number:
139259-94-2
Molecular Formula:
C17H17NO4
Molecular Weight:
299.3212
IUPAC Name:
[benzoyl-[(4-methylphenyl)methoxy]amino] acetate
InChI:
InChI=1S/C17H17NO4/c1-13-8-10-15(11-9-13)12-21-18(22-14(2)19)17(20)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3
InChI Key:
XJTLBCYOAYUFSH-UHFFFAOYSA-N
SMILES:
CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)C
UNII:
A0HPY5TXX6
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.326g/mol
Monoisotopic Mass:
299.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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