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116239-46-4 | 1-Propanol, 3-butoxy-2-methyl-, (S)- (9CI)
CAS No: 116239-46-4 Catalog No: AG000C0N MDL No:
Product Description
Catalog Number:
AG000C0N
Chemical Name:
1-Propanol, 3-butoxy-2-methyl-, (S)- (9CI)
CAS Number:
116239-46-4
Molecular Formula:
C8H18O2
Molecular Weight:
146.2273
IUPAC Name:
(2S)-3-butoxy-2-methylpropan-1-ol
InChI:
InChI=1S/C8H18O2/c1-3-4-5-10-7-8(2)6-9/h8-9H,3-7H2,1-2H3/t8-/m0/s1
InChI Key:
ZAXFSNCDBHKWSE-QMMMGPOBSA-N
SMILES:
CCCCOC[C@H](CO)C
Properties
Complexity:
64.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
1
Isotope Atom Count:
0
Molecular Weight:
146.23g/mol
Monoisotopic Mass:
146.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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