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1461726-93-1 | 3-(4-methyl-1,3-oxazol-2-yl)prop-2-enoic acid
CAS No: 1461726-93-1 Catalog No: AG01A4W8 MDL No:MFCD25371583
Product Description
Catalog Number:
AG01A4W8
Chemical Name:
3-(4-methyl-1,3-oxazol-2-yl)prop-2-enoic acid
CAS Number:
1461726-93-1
Molecular Formula:
C7H7NO3
Molecular Weight:
153.1354
MDL Number:
MFCD25371583
IUPAC Name:
3-(4-methyl-1,3-oxazol-2-yl)prop-2-enoic acid
InChI:
InChI=1S/C7H7NO3/c1-5-4-11-6(8-5)2-3-7(9)10/h2-4H,1H3,(H,9,10)
InChI Key:
CTCXZYRHHZVFOQ-UHFFFAOYSA-N
SMILES:
Cc1coc(n1)C=CC(=O)O
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
1
XLogP3:
0.7
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