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Home Carboxys Cyclobutanecarboxylic acid, 3-hydroxy-2,2-dimethyl-, methyl ester, (1R,3S)-rel-

Cyclobutanecarboxylic acid, 3-hydroxy-2,2-dimethyl-, methyl ester, (1R,3S)-rel-

CAS No.:
1392804-41-9
Catalog Number:
AG001AO7
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
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Product Description
Catalog Number:
AG001AO7
Chemical Name:
Cyclobutanecarboxylic acid, 3-hydroxy-2,2-dimethyl-, methyl ester, (1R,3S)-rel-
CAS Number:
1392804-41-9
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
MDL Number:
MFCD23106162
IUPAC Name:
methyl (1R,3S)-3-hydroxy-2,2-dimethylcyclobutane-1-carboxylate
InChI:
InChI=1S/C8H14O3/c1-8(2)5(4-6(8)9)7(10)11-3/h5-6,9H,4H2,1-3H3/t5-,6-/m0/s1
InChI Key:
CXBVPPWGWUOBMX-WDSKDSINSA-N
SMILES:
COC(=O)[C@@H]1C[C@@H](C1(C)C)O
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties