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30493-96-0 | Bicyclo[1.1.0]butane-1-carboxylic acid, 3-phenyl-, methyl ester
CAS No: 30493-96-0 Catalog No: AG0030D3 MDL No:
Product Description
Catalog Number:
AG0030D3
Chemical Name:
Bicyclo[1.1.0]butane-1-carboxylic acid, 3-phenyl-, methyl ester
CAS Number:
30493-96-0
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
IUPAC Name:
methyl 3-phenylbicyclo[1.1.0]butane-1-carboxylate
InChI:
InChI=1S/C12H12O2/c1-14-10(13)12-7-11(12,8-12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChI Key:
ZKBDVTAODHCHTL-UHFFFAOYSA-N
SMILES:
COC(=O)C12CC2(C1)c1ccccc1
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.226g/mol
Monoisotopic Mass:
188.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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