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89711-20-6 | 2-Cyclobuten-1-one, 3-propyl-
CAS No: 89711-20-6 Catalog No: AG0042L1 MDL No:
Product Description
Catalog Number:
AG0042L1
Chemical Name:
2-Cyclobuten-1-one, 3-propyl-
CAS Number:
89711-20-6
Molecular Formula:
C7H10O
Molecular Weight:
110.1537
IUPAC Name:
3-propylcyclobut-2-en-1-one
InChI:
InChI=1S/C7H10O/c1-2-3-6-4-7(8)5-6/h4H,2-3,5H2,1H3
InChI Key:
LCXCTAJBYMLUMQ-UHFFFAOYSA-N
SMILES:
CCCC1=CC(=O)C1
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.073g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.156g/mol
Monoisotopic Mass:
110.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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