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675200-66-5 | 3-Penten-2-one, 4-hydroxy-3-nitro-, (3E)-
CAS No: 675200-66-5 Catalog No: AG005MYA MDL No:
Product Description
Catalog Number:
AG005MYA
Chemical Name:
3-Penten-2-one, 4-hydroxy-3-nitro-, (3E)-
CAS Number:
675200-66-5
Molecular Formula:
C5H7NO4
Molecular Weight:
145.1134
IUPAC Name:
4-hydroxy-3-nitropent-3-en-2-one
InChI:
InChI=1S/C5H7NO4/c1-3(7)5(4(2)8)6(9)10/h7H,1-2H3
InChI Key:
OKTLCBUXSQVMTF-UHFFFAOYSA-N
SMILES:
C/C(=C(/C(=O)C)\[N+](=O)[O-])/O
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.038g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
145.114g/mol
Monoisotopic Mass:
145.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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