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Home > Other Heterocycles > 1865500-12-4
1865500-12-4 | 6,7,8,9-tetrahydrospiro[benzo[7]annulene-5,2'-oxirane]-3'-carbonitrile
CAS No: 1865500-12-4 Catalog No: AG01C6QG MDL No:MFCD30241680
Product Description
Catalog Number:
AG01C6QG
Chemical Name:
6,7,8,9-tetrahydrospiro[benzo[7]annulene-5,2'-oxirane]-3'-carbonitrile
CAS Number:
1865500-12-4
MDL Number:
MFCD30241680
IUPAC Name:
spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,3'-oxirane]-2'-carbonitrile
InChI:
InChI=1S/C13H13NO/c14-9-12-13(15-12)8-4-3-6-10-5-1-2-7-11(10)13/h1-2,5,7,12H,3-4,6,8H2
InChI Key:
XVCYQUSGXTXWGP-UHFFFAOYSA-N
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.253g/mol
Monoisotopic Mass:
199.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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