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1000-41-5 | 4-Nonyn-3-ol, 3-methyl-
CAS No: 1000-41-5 Catalog No: AG00007G MDL No:
Product Description
Catalog Number:
AG00007G
Chemical Name:
4-Nonyn-3-ol, 3-methyl-
CAS Number:
1000-41-5
Molecular Formula:
C10H18O
Molecular Weight:
154.2493
IUPAC Name:
3-methylnon-4-yn-3-ol
InChI:
InChI=1S/C10H18O/c1-4-6-7-8-9-10(3,11)5-2/h11H,4-7H2,1-3H3
InChI Key:
CNGYJXDUARQTRA-UHFFFAOYSA-N
SMILES:
CCCCC#CC(CC)(O)C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.136g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.253g/mol
Monoisotopic Mass:
154.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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