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83897-48-7 | 2-Cyclobuten-1-one, 2,3-dimethyl-
CAS No: 83897-48-7 Catalog No: AG005405 MDL No:
Product Description
Catalog Number:
AG005405
Chemical Name:
2-Cyclobuten-1-one, 2,3-dimethyl-
CAS Number:
83897-48-7
Molecular Formula:
C6H8O
Molecular Weight:
96.1271
IUPAC Name:
2,3-dimethylcyclobut-2-en-1-one
InChI:
InChI=1S/C6H8O/c1-4-3-6(7)5(4)2/h3H2,1-2H3
InChI Key:
UPTNGXUTWVBDOA-UHFFFAOYSA-N
SMILES:
CC1=C(C(=O)C1)C
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.058g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
96.129g/mol
Monoisotopic Mass:
96.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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