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139132-05-1 | Acetic acid, 2-chloro-2-cyclopropylidene-, phenylmethyl ester
CAS No: 139132-05-1 Catalog No: AG001AD8 MDL No:
Product Description
Catalog Number:
AG001AD8
Chemical Name:
Acetic acid, 2-chloro-2-cyclopropylidene-, phenylmethyl ester
CAS Number:
139132-05-1
Molecular Formula:
C12H11ClO2
Molecular Weight:
222.6675
IUPAC Name:
benzyl 2-chloro-2-cyclopropylideneacetate
InChI:
InChI=1S/C12H11ClO2/c13-11(10-6-7-10)12(14)15-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChI Key:
KVRSUIKZUOHFHA-UHFFFAOYSA-N
SMILES:
O=C(C(=C1CC1)Cl)OCc1ccccc1
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.045g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.668g/mol
Monoisotopic Mass:
222.045g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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