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10024-70-1 | Butanoic acid, 3-methoxy-
CAS No: 10024-70-1 Catalog No: AG0001CE MDL No:MFCD00029817
Product Description
Catalog Number:
AG0001CE
Chemical Name:
Butanoic acid, 3-methoxy-
CAS Number:
10024-70-1
Molecular Formula:
C5H10O3
Molecular Weight:
118.1311
MDL Number:
MFCD00029817
IUPAC Name:
3-methoxybutanoic acid
InChI:
InChI=1S/C5H10O3/c1-4(8-2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChI Key:
MXJDPWXQIVDAPH-UHFFFAOYSA-N
SMILES:
CC(OC)CC(=O)O
EC Number:
233-028-9
NSC Number:
2145
Properties
Complexity:
79.7
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:
1
Isotope Atom Count:
0
Molecular Weight:
118.132g/mol
Monoisotopic Mass:
118.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Structure of lipid A from a stem-nodulating bacterium Azorhizobium caulinodans. | Carbohydrate research 20120501 |
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