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287471-30-1 | 2-Hepten-4-yne, 1-chloro-6,6-dimethyl-, (2E)-
CAS No: 287471-30-1 Catalog No: AG002WBZ MDL No:
Product Description
Catalog Number:
AG002WBZ
Chemical Name:
2-Hepten-4-yne, 1-chloro-6,6-dimethyl-, (2E)-
CAS Number:
287471-30-1
Molecular Formula:
C9H13Cl
Molecular Weight:
156.6525
IUPAC Name:
(E)-1-chloro-6,6-dimethylhept-2-en-4-yne
InChI:
InChI=1S/C9H13Cl/c1-9(2,3)7-5-4-6-8-10/h4,6H,8H2,1-3H3/b6-4+
InChI Key:
ZIXABMZBMHDFEZ-GQCTYLIASA-N
SMILES:
ClC/C=C/C#CC(C)(C)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
156.071g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.653g/mol
Monoisotopic Mass:
156.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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