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112476-34-3 | 1H-Isoindol-1-one, 2,3,3a,6,7,7a-hexahydro-2-(phenylmethyl)-, cis-
CAS No: 112476-34-3 Catalog No: AG007ASZ MDL No:
Product Description
Catalog Number:
AG007ASZ
Chemical Name:
1H-Isoindol-1-one, 2,3,3a,6,7,7a-hexahydro-2-(phenylmethyl)-, cis-
CAS Number:
112476-34-3
Molecular Formula:
C15H17NO
Molecular Weight:
227.3016
IUPAC Name:
2-benzyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
InChI:
InChI=1S/C15H17NO/c17-15-14-9-5-4-8-13(14)11-16(15)10-12-6-2-1-3-7-12/h1-4,6-8,13-14H,5,9-11H2
InChI Key:
CHSJAABCCDNAGO-UHFFFAOYSA-N
SMILES:
O=C1N(C[C@H]2[C@@H]1CCC=C2)Cc1ccccc1
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.307g/mol
Monoisotopic Mass:
227.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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