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129851-47-4 | 2-Butanol, 2-methyl-4-[(3-methyl-2-buten-1-yl)oxy]-
CAS No: 129851-47-4 Catalog No: AG000TQ4 MDL No:
Product Description
Catalog Number:
AG000TQ4
Chemical Name:
2-Butanol, 2-methyl-4-[(3-methyl-2-buten-1-yl)oxy]-
CAS Number:
129851-47-4
Molecular Formula:
C10H20O2
Molecular Weight:
172.2646
IUPAC Name:
2-methyl-4-(3-methylbut-2-enoxy)butan-2-ol
InChI:
InChI=1S/C10H20O2/c1-9(2)5-7-12-8-6-10(3,4)11/h5,11H,6-8H2,1-4H3
InChI Key:
XWKFROPYJWBTBH-UHFFFAOYSA-N
SMILES:
CC(=CCOCCC(O)(C)C)C
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.146g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.268g/mol
Monoisotopic Mass:
172.146g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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