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72277-91-9 | 3-Buten-2-one,3-hydroxy-4-(methylamino)-
CAS No: 72277-91-9 Catalog No: AG005IFZ MDL No:
Product Description
Catalog Number:
AG005IFZ
Chemical Name:
3-Buten-2-one,3-hydroxy-4-(methylamino)-
CAS Number:
72277-91-9
Molecular Formula:
C5H9NO2
Molecular Weight:
115.1305
IUPAC Name:
3-hydroxy-4-(methylamino)but-3-en-2-one
InChI:
InChI=1S/C5H9NO2/c1-4(7)5(8)3-6-2/h3,6,8H,1-2H3
InChI Key:
IKQUOZRLFBKZDC-UHFFFAOYSA-N
SMILES:
CNC=C(C(=O)C)O
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.063g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
115.132g/mol
Monoisotopic Mass:
115.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.6
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