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29293-06-9 | 2-Pentene-1,5-diol, 3-methyl-
CAS No: 29293-06-9 Catalog No: AG002XZH MDL No:
Product Description
Catalog Number:
AG002XZH
Chemical Name:
2-Pentene-1,5-diol, 3-methyl-
CAS Number:
29293-06-9
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
IUPAC Name:
(E)-3-methylpent-2-ene-1,5-diol
InChI:
InChI=1S/C6H12O2/c1-6(2-4-7)3-5-8/h2,7-8H,3-5H2,1H3/b6-2+
InChI Key:
TWUDHDJKTHYMGY-QHHAFSJGSA-N
SMILES:
OCCC(=CCO)C
EC Number:
249-546-3
Properties
Complexity:
76.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
116.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
116.16g/mol
Monoisotopic Mass:
116.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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