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113502-26-4 | 4-Oxazolidinecarboxylic acid, 4-methyl-, 2-propen-1-yl ester
CAS No: 113502-26-4 Catalog No: AG0008T0 MDL No:
Product Description
Catalog Number:
AG0008T0
Chemical Name:
4-Oxazolidinecarboxylic acid, 4-methyl-, 2-propen-1-yl ester
CAS Number:
113502-26-4
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
IUPAC Name:
prop-2-enyl 4-methyl-1,3-oxazolidine-4-carboxylate
InChI:
InChI=1S/C8H13NO3/c1-3-4-12-7(10)8(2)5-11-6-9-8/h3,9H,1,4-6H2,2H3
InChI Key:
POMKVUIJEHCKJE-UHFFFAOYSA-N
SMILES:
CC1(COCN1)C(=O)OCC=C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.196g/mol
Monoisotopic Mass:
171.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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