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2168062-80-2 | 4-methyl-2-oxabicyclo[2.1.1]hexane-1-carboxylic acid
CAS No: 2168062-80-2 Catalog No: AG01FJ0W MDL No:
Product Description
Catalog Number:
AG01FJ0W
Chemical Name:
4-methyl-2-oxabicyclo[2.1.1]hexane-1-carboxylic acid
CAS Number:
2168062-80-2
Molecular Formula:
C7H10O3
Molecular Weight:
142.1525
IUPAC Name:
4-methyl-2-oxabicyclo[2.1.1]hexane-1-carboxylic acid
InChI:
InChI=1S/C7H10O3/c1-6-2-7(3-6,5(8)9)10-4-6/h2-4H2,1H3,(H,8,9)
InChI Key:
MMIUMWSBCLBMFV-UHFFFAOYSA-N
SMILES:
OC(=O)C12OCC(C1)(C2)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.154g/mol
Monoisotopic Mass:
142.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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