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Home > Nitro Compounds > 138668-18-5
138668-18-5 | 2-Penten-1-ol, 2-nitro-, (E)- (9CI)
CAS No: 138668-18-5 Catalog No: AG0018YO MDL No:
Product Description
Catalog Number:
AG0018YO
Chemical Name:
2-Penten-1-ol, 2-nitro-, (E)- (9CI)
CAS Number:
138668-18-5
Molecular Formula:
C5H9NO3
Molecular Weight:
131.1299
IUPAC Name:
2-nitropent-2-en-1-ol
InChI:
InChI=1S/C5H9NO3/c1-2-3-5(4-7)6(8)9/h3,7H,2,4H2,1H3
InChI Key:
TXPLCKZGFUEFGF-UHFFFAOYSA-N
SMILES:
CC/C=C(/[N+](=O)[O-])\CO
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.058g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
131.131g/mol
Monoisotopic Mass:
131.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.5
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