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1482-15-1 | 1-Pentyn-3-ol, 3,4-dimethyl-
CAS No: 1482-15-1 Catalog No: AG001FJ9 MDL No:MFCD00039845
Product Description
Catalog Number:
AG001FJ9
Chemical Name:
1-Pentyn-3-ol, 3,4-dimethyl-
CAS Number:
1482-15-1
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
MDL Number:
MFCD00039845
IUPAC Name:
3,4-dimethylpent-1-yn-3-ol
InChI:
InChI=1S/C7H12O/c1-5-7(4,8)6(2)3/h1,6,8H,2-4H3
InChI Key:
DZNLEQBXXLGELU-UHFFFAOYSA-N
SMILES:
CC(C(C#C)(O)C)C
NSC Number:
14253
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.089g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
112.172g/mol
Monoisotopic Mass:
112.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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