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89649-06-9 | 3-Penten-1-ol, nitrate
CAS No: 89649-06-9 Catalog No: AG003VGT MDL No:
Product Description
Catalog Number:
AG003VGT
Chemical Name:
3-Penten-1-ol, nitrate
CAS Number:
89649-06-9
Molecular Formula:
C5H11NO4
Molecular Weight:
149.1451
IUPAC Name:
nitric acid;pent-3-en-1-ol
InChI:
InChI=1S/C5H10O.HNO3/c1-2-3-4-5-6;2-1(3)4/h2-3,6H,4-5H2,1H3;(H,2,3,4)
InChI Key:
PJAKMGHIBXRZAL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)O.CC=CCCO
Properties
Complexity:
64
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.069g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
149.146g/mol
Monoisotopic Mass:
149.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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