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89229-69-6 | Benzoic acid, 3-chloro-, 1-(2-oxopropyl)cyclopropyl ester
CAS No: 89229-69-6 Catalog No: AG0044GO MDL No:
Product Description
Catalog Number:
AG0044GO
Chemical Name:
Benzoic acid, 3-chloro-, 1-(2-oxopropyl)cyclopropyl ester
CAS Number:
89229-69-6
Molecular Formula:
C13H13ClO3
Molecular Weight:
252.6935
IUPAC Name:
[1-(2-oxopropyl)cyclopropyl] 3-chlorobenzoate
InChI:
InChI=1S/C13H13ClO3/c1-9(15)8-13(5-6-13)17-12(16)10-3-2-4-11(14)7-10/h2-4,7H,5-6,8H2,1H3
InChI Key:
KXUWEUBPLKQJFU-UHFFFAOYSA-N
SMILES:
CC(=O)CC1(CC1)OC(=O)c1cccc(c1)Cl
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.055g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.694g/mol
Monoisotopic Mass:
252.055g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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