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16200-53-6 | 2,5-Methanopentalene-3a(1H)-carboxylic acid, hexahydro-
CAS No: 16200-53-6 Catalog No: AG001SN1 MDL No:MFCD00213463
Product Description
Catalog Number:
AG001SN1
Chemical Name:
2,5-Methanopentalene-3a(1H)-carboxylic acid, hexahydro-
CAS Number:
16200-53-6
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
MDL Number:
MFCD00213463
IUPAC Name:
tricyclo[3.3.1.03,7]nonane-3-carboxylic acid
InChI:
InChI=1S/C10H14O2/c11-9(12)10-4-6-1-7(5-10)3-8(10)2-6/h6-8H,1-5H2,(H,11,12)
InChI Key:
RXUUYFUQAGICCD-UHFFFAOYSA-N
SMILES:
OC(=O)C12CC3CC2CC(C1)C3
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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