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1439902-54-1 | 3-Cyclobutyl-2,2-dimethylpropanoic acid
CAS No: 1439902-54-1 Catalog No: AG01FCCZ MDL No:MFCD21922034
Product Description
Catalog Number:
AG01FCCZ
Chemical Name:
3-Cyclobutyl-2,2-dimethylpropanoic acid
CAS Number:
1439902-54-1
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
MDL Number:
MFCD21922034
IUPAC Name:
3-cyclobutyl-2,2-dimethylpropanoic acid
InChI:
InChI=1S/C9H16O2/c1-9(2,8(10)11)6-7-4-3-5-7/h7H,3-6H2,1-2H3,(H,10,11)
InChI Key:
MWJVRKDEBVFQLK-UHFFFAOYSA-N
SMILES:
OC(=O)C(CC1CCC1)(C)C
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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