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77723-73-0 | Cyclopropanecarbonylchloride, 3-ethynyl-2,2-dimethyl-, (1R-cis)- (9CI)
CAS No: 77723-73-0 Catalog No: AG005G26 MDL No:
Product Description
Catalog Number:
AG005G26
Chemical Name:
Cyclopropanecarbonylchloride, 3-ethynyl-2,2-dimethyl-, (1R-cis)- (9CI)
CAS Number:
77723-73-0
Molecular Formula:
C8H9ClO
Molecular Weight:
156.6095
IUPAC Name:
(1R,3R)-3-ethynyl-2,2-dimethylcyclopropane-1-carbonyl chloride
InChI:
InChI=1S/C8H9ClO/c1-4-5-6(7(9)10)8(5,2)3/h1,5-6H,2-3H3/t5-,6-/m0/s1
InChI Key:
ZKRWMMJEALQKHD-WDSKDSINSA-N
SMILES:
C#C[C@H]1[C@H](C1(C)C)C(=O)Cl
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
2.1
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