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19013-42-4 | Cyclopentanol, 1-methyl-, 1-(4-nitrobenzoate)
CAS No: 19013-42-4 Catalog No: AG002ECT MDL No:
Product Description
Catalog Number:
AG002ECT
Chemical Name:
Cyclopentanol, 1-methyl-, 1-(4-nitrobenzoate)
CAS Number:
19013-42-4
IUPAC Name:
1-methylcyclopentan-1-ol;4-nitrobenzoic acid
InChI:
InChI=1S/C7H5NO4.C6H12O/c9-7(10)5-1-3-6(4-2-5)8(11)12;1-6(7)4-2-3-5-6/h1-4H,(H,9,10);7H,2-5H2,1H3
InChI Key:
GWKICQWHUBZTBH-UHFFFAOYSA-N
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.281g/mol
Monoisotopic Mass:
267.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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