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1154030-72-4 | 5-Isoxazoleacetic acid, α-[(dimethylamino)methylene]-3-methyl-, ethyl ester
CAS No: 1154030-72-4 Catalog No: AG000FY0 MDL No:MFCD22385084
Product Description
Catalog Number:
AG000FY0
Chemical Name:
5-Isoxazoleacetic acid, α-[(dimethylamino)methylene]-3-methyl-, ethyl ester
CAS Number:
1154030-72-4
Molecular Formula:
C11H16N2O3
Molecular Weight:
224.2563
MDL Number:
MFCD22385084
IUPAC Name:
ethyl (Z)-3-(dimethylamino)-2-(3-methyl-1,2-oxazol-5-yl)prop-2-enoate
InChI:
InChI=1S/C11H16N2O3/c1-5-15-11(14)9(7-13(3)4)10-6-8(2)12-16-10/h6-7H,5H2,1-4H3/b9-7-
InChI Key:
FVOVWVFBCJWIJA-CLFYSBASSA-N
SMILES:
CCOC(=O)C(=CN(C)C)c1onc(c1)C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
224.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.26g/mol
Monoisotopic Mass:
224.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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