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74169-01-0 | 5(4H)-Oxazolone, 4-[(2-methoxyphenyl)methylene]-2-methyl-
CAS No: 74169-01-0 Catalog No: AG005NY0 MDL No:
Product Description
Catalog Number:
AG005NY0
Chemical Name:
5(4H)-Oxazolone, 4-[(2-methoxyphenyl)methylene]-2-methyl-
CAS Number:
74169-01-0
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
IUPAC Name:
4-[(2-methoxyphenyl)methylidene]-2-methyl-1,3-oxazol-5-one
InChI:
InChI=1S/C12H11NO3/c1-8-13-10(12(14)16-8)7-9-5-3-4-6-11(9)15-2/h3-7H,1-2H3
InChI Key:
HSKVPAFMAZDKCS-UHFFFAOYSA-N
SMILES:
COc1ccccc1C=C1N=C(OC1=O)C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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