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2370-12-9 | 1-Pentanol, 2,2-dimethyl-
CAS No: 2370-12-9 Catalog No: AG002O6Y MDL No:
Product Description
Catalog Number:
AG002O6Y
Chemical Name:
1-Pentanol, 2,2-dimethyl-
CAS Number:
2370-12-9
Molecular Formula:
C7H16O
Molecular Weight:
116.2013
IUPAC Name:
2,2-dimethylpentan-1-ol
InChI:
InChI=1S/C7H16O/c1-4-5-7(2,3)6-8/h8H,4-6H2,1-3H3
InChI Key:
QTOMCRXZFDHJOL-UHFFFAOYSA-N
SMILES:
CCCC(CO)(C)C
EC Number:
219-132-7
UNII:
UM625Z2MXD
NSC Number:
62666
Properties
Complexity:
57.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.12g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
116.204g/mol
Monoisotopic Mass:
116.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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