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89724-04-9 | 4-Oxazolecarboxylic acid, 2-[2-(3-chlorophenyl)ethenyl]-5-methyl-
CAS No: 89724-04-9 Catalog No: AG00420C MDL No:
Product Description
Catalog Number:
AG00420C
Chemical Name:
4-Oxazolecarboxylic acid, 2-[2-(3-chlorophenyl)ethenyl]-5-methyl-
CAS Number:
89724-04-9
Molecular Formula:
C13H10ClNO3
Molecular Weight:
263.6764
IUPAC Name:
2-[2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazole-4-carboxylic acid
InChI:
InChI=1S/C13H10ClNO3/c1-8-12(13(16)17)15-11(18-8)6-5-9-3-2-4-10(14)7-9/h2-7H,1H3,(H,16,17)
InChI Key:
YSRMDHWZHYKFPL-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)C=Cc1oc(c(n1)C(=O)O)C
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.035g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.677g/mol
Monoisotopic Mass:
263.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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