Home Carboxys 1-Cyclobutene-1-carboxylicacid,3,3-dimethyl-,methylester(7CI,9CI)

1-Cyclobutene-1-carboxylicacid,3,3-dimethyl-,methylester(7CI,9CI)

CAS No.:
37676-91-8
Catalog Number:
AG00CS8W
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
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Product Description
Catalog Number:
AG00CS8W
Chemical Name:
1-Cyclobutene-1-carboxylicacid,3,3-dimethyl-,methylester(7CI,9CI)
CAS Number:
37676-91-8
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
MDL Number:
MFCD18830691
IUPAC Name:
methyl 3,3-dimethylcyclobutene-1-carboxylate
InChI:
InChI=1S/C8H12O2/c1-8(2)4-6(5-8)7(9)10-3/h4H,5H2,1-3H3
InChI Key:
OMEOZSYTDFVFCW-UHFFFAOYSA-N
SMILES:
COC(=O)C1=CC(C1)(C)C
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties