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121676-03-7 | Tetracyclo[3.2.0.02,7.04,6]heptane-1-carboxylic acid, 5-methyl-
CAS No: 121676-03-7 Catalog No: AG0015K3 MDL No:
Product Description
Catalog Number:
AG0015K3
Chemical Name:
Tetracyclo[3.2.0.02,7.04,6]heptane-1-carboxylic acid, 5-methyl-
CAS Number:
121676-03-7
Molecular Formula:
C9H10O2
Molecular Weight:
150.1745
IUPAC Name:
5-methyltetracyclo[3.2.0.02,7.04,6]heptane-1-carboxylic acid
InChI:
InChI=1S/C9H10O2/c1-8-3-2-4-6(5(3)8)9(4,8)7(10)11/h3-6H,2H2,1H3,(H,10,11)
InChI Key:
GJTLYAUDSRBBLC-UHFFFAOYSA-N
SMILES:
OC(=O)C12C3C1C1C2(C)C1C3
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.177g/mol
Monoisotopic Mass:
150.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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