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123041-25-8 | 2-Butanol, 3-methyl-, 2-nitrate
CAS No: 123041-25-8 Catalog No: AG000JZK MDL No:
Product Description
Catalog Number:
AG000JZK
Chemical Name:
2-Butanol, 3-methyl-, 2-nitrate
CAS Number:
123041-25-8
Molecular Formula:
C5H11NO3
Molecular Weight:
133.1457
IUPAC Name:
3-methylbutan-2-yl nitrate
InChI:
InChI=1S/C5H11NO3/c1-4(2)5(3)9-6(7)8/h4-5H,1-3H3
InChI Key:
OTVLXFGCWJFXJU-UHFFFAOYSA-N
SMILES:
CC(C(C)C)O[N+](=O)[O-]
Properties
Complexity:
96.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.074g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
133.147g/mol
Monoisotopic Mass:
133.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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