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31333-13-8 | Non-3-yn-1-ol
CAS No: 31333-13-8 Catalog No: AG003T9S MDL No:MFCD00002958
Product Description
Catalog Number:
AG003T9S
Chemical Name:
Non-3-yn-1-ol
CAS Number:
31333-13-8
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
MDL Number:
MFCD00002958
IUPAC Name:
non-3-yn-1-ol
InChI:
InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h10H,2-5,8-9H2,1H3
InChI Key:
TZZVRLFUTNYDEG-UHFFFAOYSA-N
SMILES:
CCCCCC#CCCO
EC Number:
250-573-8
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.12g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.226g/mol
Monoisotopic Mass:
140.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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