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6149-41-3 | Methyl 3-hydroxypropanoate
CAS No: 6149-41-3 Catalog No: AG003RSI MDL No:MFCD00272293
Product Description
Catalog Number:
AG003RSI
Chemical Name:
Methyl 3-hydroxypropanoate
CAS Number:
6149-41-3
Molecular Formula:
C4H8O3
Molecular Weight:
104.1045
MDL Number:
MFCD00272293
IUPAC Name:
methyl 3-hydroxypropanoate
InChI:
InChI=1S/C4H8O3/c1-7-4(6)2-3-5/h5H,2-3H2,1H3
InChI Key:
RVGLEPQPVDUSOJ-UHFFFAOYSA-N
SMILES:
COC(=O)CCO
Properties
Complexity:
60
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.047g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
104.105g/mol
Monoisotopic Mass:
104.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
Literature
| Title | Journal |
|---|---|
| Joint experimental and theoretical studies of the mechanism for the gas phase elimination kinetics of methyl 2,2-dimethyl-3-hydroxypropionate. | The journal of physical chemistry. A 20090416 |
| Synthesis of an isomeric mixture (24RS,25RS) of sodium scymnol sulfate. | Steroids 20080401 |
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