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129847-28-5 | Bicyclo[1.1.0]butane-1-carboxylic acid, 1-methylethyl ester
CAS No: 129847-28-5 Catalog No: AG000TQ8 MDL No:
Product Description
Catalog Number:
AG000TQ8
Chemical Name:
Bicyclo[1.1.0]butane-1-carboxylic acid, 1-methylethyl ester
CAS Number:
129847-28-5
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
propan-2-yl bicyclo[1.1.0]butane-1-carboxylate
InChI:
InChI=1S/C8H12O2/c1-5(2)10-7(9)8-3-6(8)4-8/h5-6H,3-4H2,1-2H3
InChI Key:
YYNNUSAKLMELOG-UHFFFAOYSA-N
SMILES:
CC(OC(=O)C12CC2C1)C
Properties
Complexity:
178
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:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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