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138151-75-4 | 2-Cyclobuten-1-one, 2,3-dibutyl-4-hydroxy-
CAS No: 138151-75-4 Catalog No: AG00182J MDL No:
Product Description
Catalog Number:
AG00182J
Chemical Name:
2-Cyclobuten-1-one, 2,3-dibutyl-4-hydroxy-
CAS Number:
138151-75-4
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
IUPAC Name:
2,3-dibutyl-4-hydroxycyclobut-2-en-1-one
InChI:
InChI=1S/C12H20O2/c1-3-5-7-9-10(8-6-4-2)12(14)11(9)13/h11,13H,3-8H2,1-2H3
InChI Key:
ZJAPGBPOGYFLHL-UHFFFAOYSA-N
SMILES:
CCCCC1=C(C(C1=O)O)CCCC
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.146g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.29g/mol
Monoisotopic Mass:
196.146g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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