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116195-06-3 | Tricyclo[3.2.1.02,7]oct-3-ene-1-carboxylic acid, (1R,2S,5R,7S)-
CAS No: 116195-06-3 Catalog No: AG000BV5 MDL No:
Product Description
Catalog Number:
AG000BV5
Chemical Name:
Tricyclo[3.2.1.02,7]oct-3-ene-1-carboxylic acid, (1R,2S,5R,7S)-
CAS Number:
116195-06-3
Molecular Formula:
C9H10O2
Molecular Weight:
150.1745
IUPAC Name:
tricyclo[3.2.1.02,7]oct-3-ene-1-carboxylic acid
InChI:
InChI=1S/C9H10O2/c10-8(11)9-4-5-1-2-6(9)7(9)3-5/h1-2,5-7H,3-4H2,(H,10,11)
InChI Key:
XZQPMPXPKYHXBY-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@]12C[C@H]3C[C@H]2[C@@H]1C=C3
Properties
Complexity:
269
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:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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