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139356-93-7 | Acetamide, N-(1-methoxy-4-oxo-2,5-cyclohexadien-1-yl)-
CAS No: 139356-93-7 Catalog No: AG001AUH MDL No:MFCD09029840
Product Description
Catalog Number:
AG001AUH
Chemical Name:
Acetamide, N-(1-methoxy-4-oxo-2,5-cyclohexadien-1-yl)-
CAS Number:
139356-93-7
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD09029840
IUPAC Name:
N-(1-methoxy-4-oxocyclohexa-2,5-dien-1-yl)acetamide
InChI:
InChI=1S/C9H11NO3/c1-7(11)10-9(13-2)5-3-8(12)4-6-9/h3-6H,1-2H3,(H,10,11)
InChI Key:
HCQWQZLNOHPUIL-UHFFFAOYSA-N
SMILES:
COC1(C=CC(=O)C=C1)NC(=O)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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