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25462-23-1 | 2-Pentylpropane-1,3-diol
CAS No: 25462-23-1 Catalog No: AG003HTI MDL No:MFCD00801123
Product Description
Catalog Number:
AG003HTI
Chemical Name:
2-Pentylpropane-1,3-diol
CAS Number:
25462-23-1
Molecular Formula:
C8H18O2
Molecular Weight:
146.2273
MDL Number:
MFCD00801123
IUPAC Name:
2-pentylpropane-1,3-diol
InChI:
InChI=1S/C8H18O2/c1-2-3-4-5-8(6-9)7-10/h8-10H,2-7H2,1H3
InChI Key:
RHYUFGNCUXTFTC-UHFFFAOYSA-N
SMILES:
CCCCCC(CO)CO
Properties
Complexity:
60.3
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:
6
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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