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141046-53-9 | Bicyclo[2.1.1]hexane-1-carboxylic acid, methyl ester
CAS No: 141046-53-9 Catalog No: AG001FS8 MDL No:
Product Description
Catalog Number:
AG001FS8
Chemical Name:
Bicyclo[2.1.1]hexane-1-carboxylic acid, methyl ester
CAS Number:
141046-53-9
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
methyl bicyclo[2.1.1]hexane-1-carboxylate
InChI:
InChI=1S/C8H12O2/c1-10-7(9)8-3-2-6(4-8)5-8/h6H,2-5H2,1H3
InChI Key:
AIHAUSAMSFJGOH-UHFFFAOYSA-N
SMILES:
COC(=O)C12CCC(C1)C2
Properties
Complexity:
168
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:
1.3
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