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3852-09-3 | Methyl 3-methoxypropionate
CAS No: 3852-09-3 Catalog No: AG003RSU MDL No:MFCD00059085
Product Description
Catalog Number:
AG003RSU
Chemical Name:
Methyl 3-methoxypropionate
CAS Number:
3852-09-3
Molecular Formula:
C5H10O3
Molecular Weight:
118.1311
MDL Number:
MFCD00059085
IUPAC Name:
methyl 3-methoxypropanoate
InChI:
InChI=1S/C5H10O3/c1-7-4-3-5(6)8-2/h3-4H2,1-2H3
InChI Key:
BDJSOPWXYLFTNW-UHFFFAOYSA-N
SMILES:
COCCC(=O)OC
EC Number:
223-358-1
UNII:
RL3A396XRV
NSC Number:
65578
Properties
Complexity:
70.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.063g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
118.132g/mol
Monoisotopic Mass:
118.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| Molecular basis for the enhanced lipase-catalyzed N-acylation of 1-phenylethanamine with methoxyacetate. | Chembiochem : a European journal of chemical biology 20061101 |
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