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898784-38-8 | 2-(3,4-DIMETHOXYBENZOYL)OXAZOLE
CAS No: 898784-38-8 Catalog No: AG00GXIT MDL No:
Product Description
Catalog Number:
AG00GXIT
Chemical Name:
2-(3,4-DIMETHOXYBENZOYL)OXAZOLE
CAS Number:
898784-38-8
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
IUPAC Name:
(3,4-dimethoxyphenyl)-(1,3-oxazol-2-yl)methanone
InChI:
InChI=1S/C12H11NO4/c1-15-9-4-3-8(7-10(9)16-2)11(14)12-13-5-6-17-12/h3-7H,1-2H3
InChI Key:
NTGXFEMZUXHDDJ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C(=O)c1ncco1
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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