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145873-56-9 | 2,4-Pentanediol, 3-methylene-
CAS No: 145873-56-9 Catalog No: AG001DH3 MDL No:
Product Description
Catalog Number:
AG001DH3
Chemical Name:
2,4-Pentanediol, 3-methylene-
CAS Number:
145873-56-9
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
IUPAC Name:
3-methylidenepentane-2,4-diol
InChI:
InChI=1S/C6H12O2/c1-4(5(2)7)6(3)8/h5-8H,1H2,2-3H3
InChI Key:
GSTHQNTUGGGKIR-UHFFFAOYSA-N
SMILES:
CC(C(=C)C(O)C)O
Properties
Complexity:
78.5
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:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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