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19781-54-5 | 1-Penten-3-ol, 2,4-dimethyl-
CAS No: 19781-54-5 Catalog No: AG002B2H MDL No:
Product Description
Catalog Number:
AG002B2H
Chemical Name:
1-Penten-3-ol, 2,4-dimethyl-
CAS Number:
19781-54-5
Molecular Formula:
C7H14O
Molecular Weight:
114.1855
IUPAC Name:
2,4-dimethylpent-1-en-3-ol
InChI:
InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h6-8H,1H2,2-4H3
InChI Key:
DWLSOADTNMPXFH-UHFFFAOYSA-N
SMILES:
CC(C(C(=C)C)O)C
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:
2.2
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