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2004-67-3 | 4-Penten-2-ol, 4-methyl-
CAS No: 2004-67-3 Catalog No: AG002CQS MDL No:
Product Description
Catalog Number:
AG002CQS
Chemical Name:
4-Penten-2-ol, 4-methyl-
CAS Number:
2004-67-3
Molecular Formula:
C6H12O
Molecular Weight:
100.1589
IUPAC Name:
4-methylpent-4-en-2-ol
InChI:
InChI=1S/C6H12O/c1-5(2)4-6(3)7/h6-7H,1,4H2,2-3H3
InChI Key:
KPHPTSMXBAVNPX-UHFFFAOYSA-N
SMILES:
CC(CC(=C)C)O
EC Number:
217-907-4
Properties
Complexity:
66.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.089g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
100.161g/mol
Monoisotopic Mass:
100.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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