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145571-40-0 | Tricyclo[5.1.0.02,4]octane-5-carboxylic acid
CAS No: 145571-40-0 Catalog No: AG001D6Y MDL No:
Product Description
Catalog Number:
AG001D6Y
Chemical Name:
Tricyclo[5.1.0.02,4]octane-5-carboxylic acid
CAS Number:
145571-40-0
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
IUPAC Name:
tricyclo[5.1.0.02,4]octane-5-carboxylic acid
InChI:
InChI=1S/C9H12O2/c10-9(11)8-2-4-1-5(4)6-3-7(6)8/h4-8H,1-3H2,(H,10,11)
InChI Key:
NFJKPPMBDMZUKU-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC2CC2C2C1C2
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.193g/mol
Monoisotopic Mass:
152.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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