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114670-75-6 | Butanoic acid, 3,3-dimethyl-, chloromethyl ester
CAS No: 114670-75-6 Catalog No: AG000F09 MDL No:MFCD27941750
Product Description
Catalog Number:
AG000F09
Chemical Name:
Butanoic acid, 3,3-dimethyl-, chloromethyl ester
CAS Number:
114670-75-6
Molecular Formula:
C7H13ClO2
Molecular Weight:
164.6299
MDL Number:
MFCD27941750
IUPAC Name:
chloromethyl 3,3-dimethylbutanoate
InChI:
InChI=1S/C7H13ClO2/c1-7(2,3)4-6(9)10-5-8/h4-5H2,1-3H3
InChI Key:
SFBGQDWZYXYQAS-UHFFFAOYSA-N
SMILES:
ClCOC(=O)CC(C)(C)C
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.06g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.629g/mol
Monoisotopic Mass:
164.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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