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19878-42-3 | Azacyclotridecan-2-one, 1-benzoyl-
CAS No: 19878-42-3 Catalog No: AG002BQ2 MDL No:
Product Description
Catalog Number:
AG002BQ2
Chemical Name:
Azacyclotridecan-2-one, 1-benzoyl-
CAS Number:
19878-42-3
Molecular Formula:
C19H27NO2
Molecular Weight:
301.4232
IUPAC Name:
1-benzoyl-azacyclotridecan-2-one
InChI:
InChI=1S/C19H27NO2/c21-18-15-11-6-4-2-1-3-5-7-12-16-20(18)19(22)17-13-9-8-10-14-17/h8-10,13-14H,1-7,11-12,15-16H2
InChI Key:
YUZSWTAALKJGRJ-UHFFFAOYSA-N
SMILES:
O=C1CCCCCCCCCCCN1C(=O)c1ccccc1
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.204g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.43g/mol
Monoisotopic Mass:
301.204g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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