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144-19-4 | 1,3-Pentanediol, 2,2,4-trimethyl-
CAS No: 144-19-4 Catalog No: AG001IRE MDL No:MFCD00004681
Product Description
Catalog Number:
AG001IRE
Chemical Name:
1,3-Pentanediol, 2,2,4-trimethyl-
CAS Number:
144-19-4
Molecular Formula:
C8H18O2
Molecular Weight:
146.2273
MDL Number:
MFCD00004681
IUPAC Name:
2,2,4-trimethylpentane-1,3-diol
InChI:
InChI=1S/C8H18O2/c1-6(2)7(10)8(3,4)5-9/h6-7,9-10H,5H2,1-4H3
InChI Key:
JCTXKRPTIMZBJT-UHFFFAOYSA-N
SMILES:
OCC(C(C(C)C)O)(C)C
EC Number:
205-619-1
NSC Number:
6368
Properties
Complexity:
97.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.131g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
146.23g/mol
Monoisotopic Mass:
146.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Compound C prevents Hypoxia-Inducible Factor-1α protein stabilization by regulating the cellular oxygen availability via interaction with Mitochondrial Complex I. | BMC research notes 20110101 |
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