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2544-05-0 | 2-Chloro-3-methoxypropionic acid
CAS No: 2544-05-0 Catalog No: AG003B6Y MDL No:MFCD03093624
Product Description
Catalog Number:
AG003B6Y
Chemical Name:
2-Chloro-3-methoxypropionic acid
CAS Number:
2544-05-0
Molecular Formula:
C4H7ClO3
Molecular Weight:
138.5496
MDL Number:
MFCD03093624
IUPAC Name:
2-chloro-3-methoxypropanoic acid
InChI:
InChI=1S/C4H7ClO3/c1-8-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)
InChI Key:
SSWGTERYCJZJPQ-UHFFFAOYSA-N
SMILES:
COCC(C(=O)O)Cl
Properties
Complexity:
83.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.008g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
138.547g/mol
Monoisotopic Mass:
138.008g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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