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7146-61-4 | O-isopropyl acetaminophen
CAS No: 7146-61-4 Catalog No: AG00FTSJ MDL No:MFCD00463571
Product Description
Catalog Number:
AG00FTSJ
Chemical Name:
O-isopropyl acetaminophen
CAS Number:
7146-61-4
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
MDL Number:
MFCD00463571
IUPAC Name:
N-(4-propan-2-yloxyphenyl)acetamide
InChI:
InChI=1S/C11H15NO2/c1-8(2)14-11-6-4-10(5-7-11)12-9(3)13/h4-8H,1-3H3,(H,12,13)
InChI Key:
QCSNJTIWCIMFFY-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(cc1)NC(=O)C)C
NSC Number:
23810
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| N-(4-Isopropoxyphen-yl)acetamide. | Acta crystallographica. Section E, Structure reports online 20090501 |
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