Home Halogens Propanal, 3-chloro-2,2-dimethyl-

Propanal, 3-chloro-2,2-dimethyl-

CAS No.:
13401-57-5
Catalog Number:
AG0070YH
Molecular Formula:
C5H9ClO
Molecular Weight:
120.5774
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Product Description
Catalog Number:
AG0070YH
Chemical Name:
Propanal, 3-chloro-2,2-dimethyl-
CAS Number:
13401-57-5
Molecular Formula:
C5H9ClO
Molecular Weight:
120.5774
MDL Number:
MFCD19232108
IUPAC Name:
3-chloro-2,2-dimethylpropanal
InChI:
InChI=1S/C5H9ClO/c1-5(2,3-6)4-7/h4H,3H2,1-2H3
InChI Key:
ITSRYBRMKMEYHL-UHFFFAOYSA-N
SMILES:
ClCC(C=O)(C)C
Properties
Complexity:
68.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.034g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.576g/mol
Monoisotopic Mass:
120.034g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties