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19781-52-3 | 4-Penten-2-ol, 2,3-dimethyl-
CAS No: 19781-52-3 Catalog No: AG002B2J MDL No:
Product Description
Catalog Number:
AG002B2J
Chemical Name:
4-Penten-2-ol, 2,3-dimethyl-
CAS Number:
19781-52-3
Molecular Formula:
C7H14O
Molecular Weight:
114.1855
IUPAC Name:
2,3-dimethylpent-4-en-2-ol
InChI:
InChI=1S/C7H14O/c1-5-6(2)7(3,4)8/h5-6,8H,1H2,2-4H3
InChI Key:
UXQHFIZCRSFVOJ-UHFFFAOYSA-N
SMILES:
C=CC(C(O)(C)C)C
NSC Number:
91499
Properties
Complexity:
84.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.104g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
114.188g/mol
Monoisotopic Mass:
114.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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