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71810-76-9 | 2-Propenoicacid,3-(3-methyl-5-isoxazolyl)-(9CI)
CAS No: 71810-76-9 Catalog No: AG00FVA6 MDL No:
Product Description
Catalog Number:
AG00FVA6
Chemical Name:
2-Propenoicacid,3-(3-methyl-5-isoxazolyl)-(9CI)
CAS Number:
71810-76-9
IUPAC Name:
(E)-3-(3-methyl-1,2-oxazol-5-yl)prop-2-enoic acid
InChI:
InChI=1S/C7H7NO3/c1-5-4-6(11-8-5)2-3-7(9)10/h2-4H,1H3,(H,9,10)/b3-2+
InChI Key:
DHHITEOQNNYPNT-NSCUHMNNSA-N
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
153.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.137g/mol
Monoisotopic Mass:
153.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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