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132663-73-1 | Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(1,1-dimethylethyl)-
CAS No: 132663-73-1 Catalog No: AG0010XZ MDL No:MFCD20639636
Product Description
Catalog Number:
AG0010XZ
Chemical Name:
Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(1,1-dimethylethyl)-
CAS Number:
132663-73-1
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
MDL Number:
MFCD20639636
IUPAC Name:
3-tert-butylbicyclo[1.1.1]pentane-1-carboxylic acid
InChI:
InChI=1S/C10H16O2/c1-8(2,3)10-4-9(5-10,6-10)7(11)12/h4-6H2,1-3H3,(H,11,12)
InChI Key:
UUWIRUOYXBPCQC-UHFFFAOYSA-N
SMILES:
OC(=O)C12CC(C1)(C2)C(C)(C)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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