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15484-46-5 | Methyl 2-(hydroxymethyl)acrylate
CAS No: 15484-46-5 Catalog No: AG0038X9 MDL No:MFCD12545894
Product Description
Catalog Number:
AG0038X9
Chemical Name:
Methyl 2-(hydroxymethyl)acrylate
CAS Number:
15484-46-5
Molecular Formula:
C5H8O3
Molecular Weight:
116.1152
MDL Number:
MFCD12545894
IUPAC Name:
methyl 2-(hydroxymethyl)prop-2-enoate
InChI:
InChI=1S/C5H8O3/c1-4(3-6)5(7)8-2/h6H,1,3H2,2H3
InChI Key:
RFUCOAQWQVDBEU-UHFFFAOYSA-N
SMILES:
COC(=O)C(=C)CO
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.047g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
116.116g/mol
Monoisotopic Mass:
116.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Structure-activity relationships of tulipalines, tuliposides, and related compounds as inhibitors of MurA. | Bioorganic & medicinal chemistry letters 20101001 |
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