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6973-74-6 | 3a-methyl-2-phenyl-1,3a,5,6,7,7a-hexahydro-4h-indol-4-one
CAS No: 6973-74-6 Catalog No: AG005ID8 MDL No:
Product Description
Catalog Number:
AG005ID8
Chemical Name:
3a-methyl-2-phenyl-1,3a,5,6,7,7a-hexahydro-4h-indol-4-one
CAS Number:
6973-74-6
Molecular Formula:
C15H17NO
Molecular Weight:
227.3016
IUPAC Name:
3a-methyl-2-phenyl-5,6,7,7a-tetrahydro-1H-indol-4-one
InChI:
InChI=1S/C15H17NO/c1-15-10-12(11-6-3-2-4-7-11)16-13(15)8-5-9-14(15)17/h2-4,6-7,10,13,16H,5,8-9H2,1H3
InChI Key:
MWRYMEATTHJEAP-UHFFFAOYSA-N
SMILES:
O=C1CCCC2C1(C)C=C(N2)c1ccccc1
NSC Number:
42989
Properties
Complexity:
354
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.307g/mol
Monoisotopic Mass:
227.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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