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122745-86-2 | 2-Cyclobuten-1-one, 2-ethenyl-4-hydroxy-3-methoxy-4-phenyl-
CAS No: 122745-86-2 Catalog No: AG000J9A MDL No:
Product Description
Catalog Number:
AG000J9A
Chemical Name:
2-Cyclobuten-1-one, 2-ethenyl-4-hydroxy-3-methoxy-4-phenyl-
CAS Number:
122745-86-2
Molecular Formula:
C13H12O3
Molecular Weight:
216.2326
IUPAC Name:
2-ethenyl-4-hydroxy-3-methoxy-4-phenylcyclobut-2-en-1-one
InChI:
InChI=1S/C13H12O3/c1-3-10-11(14)13(15,12(10)16-2)9-7-5-4-6-8-9/h3-8,15H,1H2,2H3
InChI Key:
JTCWHNVGPGTYML-UHFFFAOYSA-N
SMILES:
COC1=C(C=C)C(=O)C1(O)c1ccccc1
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.236g/mol
Monoisotopic Mass:
216.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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