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20941-07-5 | 4-Pentene-1,3-diol, 3-methyl-
CAS No: 20941-07-5 Catalog No: AG002K83 MDL No:
Product Description
Catalog Number:
AG002K83
Chemical Name:
4-Pentene-1,3-diol, 3-methyl-
CAS Number:
20941-07-5
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
IUPAC Name:
3-methylpent-4-ene-1,3-diol
InChI:
InChI=1S/C6H12O2/c1-3-6(2,8)4-5-7/h3,7-8H,1,4-5H2,2H3
InChI Key:
MFDAOGRWLFAQNK-UHFFFAOYSA-N
SMILES:
CC(C=C)(CCO)O
Properties
Complexity:
80.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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