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138403-72-2 | 2(1H)-Azecinone, 3,4,7,8,9,10-hexahydro-1-(phenylmethyl)-, (E)- (9CI)
CAS No: 138403-72-2 Catalog No: AG0018PZ MDL No:
Product Description
Catalog Number:
AG0018PZ
Chemical Name:
2(1H)-Azecinone, 3,4,7,8,9,10-hexahydro-1-(phenylmethyl)-, (E)- (9CI)
CAS Number:
138403-72-2
Molecular Formula:
C16H21NO
Molecular Weight:
243.3440
IUPAC Name:
1-benzyl-2,3,4,5,8,9-hexahydroazecin-10-one
InChI:
InChI=1S/C16H21NO/c18-16-12-8-3-1-2-4-9-13-17(16)14-15-10-6-5-7-11-15/h1,3,5-7,10-11H,2,4,8-9,12-14H2
InChI Key:
DVKCCQJHGDIGMV-UHFFFAOYSA-N
SMILES:
O=C1CC/C=C/CCCCN1Cc1ccccc1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.162g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.35g/mol
Monoisotopic Mass:
243.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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