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71198-72-6 | (Z)-4-(4-Methoxybenzylidene)-2-methyloxazol-5(4H)-one
CAS No: 71198-72-6 Catalog No: AG005KCP MDL No:MFCD00452625
Product Description
Catalog Number:
AG005KCP
Chemical Name:
(Z)-4-(4-Methoxybenzylidene)-2-methyloxazol-5(4H)-one
CAS Number:
71198-72-6
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
MDL Number:
MFCD00452625
IUPAC Name:
(4Z)-4-[(4-methoxyphenyl)methylidene]-2-methyl-1,3-oxazol-5-one
InChI:
InChI=1S/C12H11NO3/c1-8-13-11(12(14)16-8)7-9-3-5-10(15-2)6-4-9/h3-7H,1-2H3/b11-7-
InChI Key:
NRQHBNNTBIDSRK-XFFZJAGNSA-N
SMILES:
COc1ccc(cc1)/C=C/1\N=C(OC1=O)C
NSC Number:
636400
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
0
XLogP3:
1.9
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