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100020-94-8 | 3,7-Ethano-3aH-indene-3a-carbonyl chloride, octahydro-
CAS No: 100020-94-8 Catalog No: AG0000B4 MDL No:
Product Description
Catalog Number:
AG0000B4
Chemical Name:
3,7-Ethano-3aH-indene-3a-carbonyl chloride, octahydro-
CAS Number:
100020-94-8
Molecular Formula:
C12H17ClO
Molecular Weight:
212.7158
IUPAC Name:
tricyclo[5.4.0.04,8]undecane-8-carbonyl chloride
InChI:
InChI=1S/C12H17ClO/c13-11(14)12-7-1-2-8-3-4-9(12)5-6-10(8)12/h8-10H,1-7H2
InChI Key:
ZXAKRFUBTKWFDD-UHFFFAOYSA-N
SMILES:
ClC(=O)C12CCCC3C2CCC1CC3
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.097g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.717g/mol
Monoisotopic Mass:
212.097g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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