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126875-83-0 | Benzenamine, N-(acetyloxy)-4-methyl-
CAS No: 126875-83-0 Catalog No: AG000TEM MDL No:
Product Description
Catalog Number:
AG000TEM
Chemical Name:
Benzenamine, N-(acetyloxy)-4-methyl-
CAS Number:
126875-83-0
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
IUPAC Name:
(4-methylanilino) acetate
InChI:
InChI=1S/C9H11NO2/c1-7-3-5-9(6-4-7)10-12-8(2)11/h3-6,10H,1-2H3
InChI Key:
RXHZTWUCCZNGCI-UHFFFAOYSA-N
SMILES:
CC(=O)ONc1ccc(cc1)C
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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