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864755-88-4 | 2-Oxazolidinone, 3-[4-(3,4-dimethoxyphenyl)-3-butynyl]-
CAS No: 864755-88-4 Catalog No: AG004MPX MDL No:
Product Description
Catalog Number:
AG004MPX
Chemical Name:
2-Oxazolidinone, 3-[4-(3,4-dimethoxyphenyl)-3-butynyl]-
CAS Number:
864755-88-4
Molecular Formula:
C15H17NO4
Molecular Weight:
275.2998
IUPAC Name:
3-[4-(3,4-dimethoxyphenyl)but-3-ynyl]-1,3-oxazolidin-2-one
InChI:
InChI=1S/C15H17NO4/c1-18-13-7-6-12(11-14(13)19-2)5-3-4-8-16-9-10-20-15(16)17/h6-7,11H,4,8-10H2,1-2H3
InChI Key:
CJMICPVJMAXIBP-UHFFFAOYSA-N
SMILES:
COc1cc(C#CCCN2CCOC2=O)ccc1OC
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.304g/mol
Monoisotopic Mass:
275.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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