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88999-38-6 | 1,4-Methanonaphthalen-2(1H)-one, 6-amino-3,4-dihydro-
CAS No: 88999-38-6 Catalog No: AG00455K MDL No:
Product Description
Catalog Number:
AG00455K
Chemical Name:
1,4-Methanonaphthalen-2(1H)-one, 6-amino-3,4-dihydro-
CAS Number:
88999-38-6
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
IUPAC Name:
4-aminotricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-9-one
InChI:
InChI=1S/C11H11NO/c12-7-1-2-8-9(5-7)6-3-10(8)11(13)4-6/h1-2,5-6,10H,3-4,12H2
InChI Key:
ZDXVMQRCQSWMAG-UHFFFAOYSA-N
SMILES:
O=C1CC2CC1c1c2cc(cc1)N
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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