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77877-94-2 | Pentanoic acid, chloromethyl ester
CAS No: 77877-94-2 Catalog No: AG0056WN MDL No:MFCD19232087
Product Description
Catalog Number:
AG0056WN
Chemical Name:
Pentanoic acid, chloromethyl ester
CAS Number:
77877-94-2
Molecular Formula:
C6H11ClO2
Molecular Weight:
150.6033
MDL Number:
MFCD19232087
IUPAC Name:
chloromethyl pentanoate
InChI:
InChI=1S/C6H11ClO2/c1-2-3-4-6(8)9-5-7/h2-5H2,1H3
InChI Key:
ZYDSTVMBNBPPLQ-UHFFFAOYSA-N
SMILES:
CCCCC(=O)OCCl
Properties
Complexity:
83.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.045g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.602g/mol
Monoisotopic Mass:
150.045g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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