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Home > Other Heterocycles > 98875-01-5
98875-01-5 | (1R,5R,6R)-3-methylbicyclo[3.1.0]hex-3-ene-6-carbonyl chloride
CAS No: 98875-01-5 Catalog No: AG005TUJ MDL No:
Product Description
Catalog Number:
AG005TUJ
Chemical Name:
(1R,5R,6R)-3-methylbicyclo[3.1.0]hex-3-ene-6-carbonyl chloride
CAS Number:
98875-01-5
Molecular Formula:
C8H9ClO
Molecular Weight:
156.6095
IUPAC Name:
(1S,5S,6R)-3-methylbicyclo[3.1.0]hex-2-ene-6-carbonyl chloride
InChI:
InChI=1S/C8H9ClO/c1-4-2-5-6(3-4)7(5)8(9)10/h2,5-7H,3H2,1H3/t5-,6+,7+/m1/s1
InChI Key:
MKFVRCBLWIBNLD-VQVTYTSYSA-N
SMILES:
CC1=C[C@H]2[C@@H](C1)[C@H]2C(=O)Cl
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
156.034g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.609g/mol
Monoisotopic Mass:
156.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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