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138528-88-8 | 2,5-Pentalenediol, octahydro-2-methyl-
CAS No: 138528-88-8 Catalog No: AG0019D5 MDL No:
Product Description
Catalog Number:
AG0019D5
Chemical Name:
2,5-Pentalenediol, octahydro-2-methyl-
CAS Number:
138528-88-8
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pentalene-2,5-diol
InChI:
InChI=1S/C9H16O2/c1-9(11)4-6-2-8(10)3-7(6)5-9/h6-8,10-11H,2-5H2,1H3
InChI Key:
XNYKKDUKULMRMC-UHFFFAOYSA-N
SMILES:
OC1CC2C(C1)CC(C2)(C)O
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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