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10488-68-3 | Methyl 4-chloro-3-hydroxybutanoate
CAS No: 10488-68-3 Catalog No: AG0039WB MDL No:MFCD09744009
Product Description
Catalog Number:
AG0039WB
Chemical Name:
Methyl 4-chloro-3-hydroxybutanoate
CAS Number:
10488-68-3
Molecular Formula:
C5H9ClO3
Molecular Weight:
152.5762
MDL Number:
MFCD09744009
IUPAC Name:
methyl 4-chloro-3-hydroxybutanoate
InChI:
InChI=1S/C5H9ClO3/c1-9-5(8)2-4(7)3-6/h4,7H,2-3H2,1H3
InChI Key:
WMRINGSAVOPXTE-UHFFFAOYSA-N
SMILES:
COC(=O)CC(CCl)O
Properties
Complexity:
94.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.024g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.574g/mol
Monoisotopic Mass:
152.024g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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