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845828-76-4 | 5-Heptenoyl chloride, 3,6-dimethyl-, (3R)-
CAS No: 845828-76-4 Catalog No: AG004UEG MDL No:
Product Description
Catalog Number:
AG004UEG
Chemical Name:
5-Heptenoyl chloride, 3,6-dimethyl-, (3R)-
CAS Number:
845828-76-4
Molecular Formula:
C9H15ClO
Molecular Weight:
174.6678
IUPAC Name:
(3R)-3,6-dimethylhept-5-enoyl chloride
InChI:
InChI=1S/C9H15ClO/c1-7(2)4-5-8(3)6-9(10)11/h4,8H,5-6H2,1-3H3/t8-/m1/s1
InChI Key:
NUVLYRMYRPMNSU-MRVPVSSYSA-N
SMILES:
C[C@@H](CC(=O)Cl)CC=C(C)C
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
174.081g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.668g/mol
Monoisotopic Mass:
174.081g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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