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145875-07-6 | 2-Propenoic acid, 2-methyl-, (2-oxo-3(2H)-benzoxazolyl)methyl ester
CAS No: 145875-07-6 Catalog No: AG001DH2 MDL No:
Product Description
Catalog Number:
AG001DH2
Chemical Name:
2-Propenoic acid, 2-methyl-, (2-oxo-3(2H)-benzoxazolyl)methyl ester
CAS Number:
145875-07-6
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
IUPAC Name:
(2-oxo-1,3-benzoxazol-3-yl)methyl 2-methylprop-2-enoate
InChI:
InChI=1S/C12H11NO4/c1-8(2)11(14)16-7-13-9-5-3-4-6-10(9)17-12(13)15/h3-6H,1,7H2,2H3
InChI Key:
BCFMCQBIAXTIDC-UHFFFAOYSA-N
SMILES:
CC(=C)C(=O)OCn1c(=O)oc2c1cccc2
Properties
Complexity:
352
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:
4
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:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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