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13881-41-9 | Propanoic acid, 3-chloro-2-hydroxy-2-methyl-
CAS No: 13881-41-9 Catalog No: AG0019MP MDL No:
Product Description
Catalog Number:
AG0019MP
Chemical Name:
Propanoic acid, 3-chloro-2-hydroxy-2-methyl-
CAS Number:
13881-41-9
Molecular Formula:
C4H7ClO3
Molecular Weight:
138.5496
IUPAC Name:
3-chloro-2-hydroxy-2-methylpropanoic acid
InChI:
InChI=1S/C4H7ClO3/c1-4(8,2-5)3(6)7/h8H,2H2,1H3,(H,6,7)
InChI Key:
NFSVYGUHJOOEJQ-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)(CCl)O
EC Number:
604-096-0
NSC Number:
48099
Properties
Complexity:
104
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:
2
Isotope Atom Count:
0
Molecular Weight:
138.547g/mol
Monoisotopic Mass:
138.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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