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1320-98-5 | Pentanol, 4-methyl-
CAS No: 1320-98-5 Catalog No: AG00101Y MDL No:
Product Description
Catalog Number:
AG00101Y
Chemical Name:
Pentanol, 4-methyl-
CAS Number:
1320-98-5
Molecular Formula:
C6H14O
Molecular Weight:
102.1748
IUPAC Name:
4-methylpentan-1-ol
InChI:
InChI=1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3
InChI Key:
PCWGTDULNUVNBN-UHFFFAOYSA-N
SMILES:
OCCCC(C)C
EC Number:
210-969-3
UNII:
X796XFP7D4
NSC Number:
91492
Properties
Complexity:
33.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
102.104g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
102.177g/mol
Monoisotopic Mass:
102.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
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| Novel antagonists of alcohol inhibition of l1-mediated cell adhesion: multiple mechanisms of action. | Molecular pharmacology 20021101 |
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