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1397685-06-1 | Benzoic acid, 3,4-diamino-, 2-acetylphenyl ester
CAS No: 1397685-06-1 Catalog No: AG001BO9 MDL No:
Product Description
Catalog Number:
AG001BO9
Chemical Name:
Benzoic acid, 3,4-diamino-, 2-acetylphenyl ester
CAS Number:
1397685-06-1
Molecular Formula:
C15H14N2O3
Molecular Weight:
270.2833
IUPAC Name:
phenacyl 3,4-diaminobenzoate
InChI:
InChI=1S/C15H14N2O3/c16-12-7-6-11(8-13(12)17)15(19)20-9-14(18)10-4-2-1-3-5-10/h1-8H,9,16-17H2
InChI Key:
IRYZQDQAWFYLGQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)N)N)Oc1ccccc1C(=O)C
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.288g/mol
Monoisotopic Mass:
270.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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