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28554-00-9 | Propanoic acid, chloro-
CAS No: 28554-00-9 Catalog No: AG002VOX MDL No:
Product Description
Catalog Number:
AG002VOX
Chemical Name:
Propanoic acid, chloro-
CAS Number:
28554-00-9
Molecular Formula:
C3H5ClO2
Molecular Weight:
108.5236
IUPAC Name:
2-chloropropanoic acid
InChI:
InChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)
InChI Key:
GAWAYYRQGQZKCR-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)Cl
EC Number:
209-952-3
RTECS Number:
UE8575000
UN Number:
2511
Properties
Complexity:
61.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
107.998g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
108.521g/mol
Monoisotopic Mass:
107.998g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
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