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101055-79-2 | 1,4-Methanopentalene-2-carbonyl chloride, octahydro-
CAS No: 101055-79-2 Catalog No: AG0003ME MDL No:
Product Description
Catalog Number:
AG0003ME
Chemical Name:
1,4-Methanopentalene-2-carbonyl chloride, octahydro-
CAS Number:
101055-79-2
Molecular Formula:
C10H13ClO
Molecular Weight:
184.6626
IUPAC Name:
tricyclo[4.3.0.03,7]nonane-4-carbonyl chloride
InChI:
InChI=1S/C10H13ClO/c11-10(12)9-4-7-5-1-2-6(7)8(9)3-5/h5-9H,1-4H2
InChI Key:
PYUSRMWVTGYHQJ-UHFFFAOYSA-N
SMILES:
ClC(=O)C1CC2C3C1CC2CC3
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.065g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.663g/mol
Monoisotopic Mass:
184.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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