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78629-20-6 | 6,6-Dimethylhept-1-en-4-yn-3-ol
CAS No: 78629-20-6 Catalog No: AG005K2P MDL No:MFCD04974030
Product Description
Catalog Number:
AG005K2P
Chemical Name:
6,6-Dimethylhept-1-en-4-yn-3-ol
CAS Number:
78629-20-6
Molecular Formula:
C9H14O
Molecular Weight:
138.2069
MDL Number:
MFCD04974030
IUPAC Name:
6,6-dimethylhept-1-en-4-yn-3-ol
InChI:
InChI=1S/C9H14O/c1-5-8(10)6-7-9(2,3)4/h5,8,10H,1H2,2-4H3
InChI Key:
MOWPBNFGGOHZRW-UHFFFAOYSA-N
SMILES:
C=CC(C#CC(C)(C)C)O
EC Number:
616-644-6
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.104g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
138.21g/mol
Monoisotopic Mass:
138.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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