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2466-67-3 | 1-Butanol, 3-methyl-, 1-(dihydrogen phosphate)
CAS No: 2466-67-3 Catalog No: AG002OZF MDL No:
Product Description
Catalog Number:
AG002OZF
Chemical Name:
1-Butanol, 3-methyl-, 1-(dihydrogen phosphate)
CAS Number:
2466-67-3
IUPAC Name:
3-methylbutyl dihydrogen phosphate
InChI:
InChI=1S/C5H13O4P/c1-5(2)3-4-9-10(6,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8)
InChI Key:
WCWLEIAMBPYRFJ-UHFFFAOYSA-N
EC Number:
219-575-6
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.055g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.129g/mol
Monoisotopic Mass:
168.055g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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