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1314790-90-3 | Spiro[cyclobutane-1,4'(1'H)-isoquinoline], 2',3'-dihydro-7'-methoxy-
CAS No: 1314790-90-3 Catalog No: AG000W9P MDL No:
Product Description
Catalog Number:
AG000W9P
Chemical Name:
Spiro[cyclobutane-1,4'(1'H)-isoquinoline], 2',3'-dihydro-7'-methoxy-
CAS Number:
1314790-90-3
Molecular Formula:
C13H17NO
Molecular Weight:
203.2802
IUPAC Name:
7-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclobutane]
InChI:
InChI=1S/C13H17NO/c1-15-11-3-4-12-10(7-11)8-14-9-13(12)5-2-6-13/h3-4,7,14H,2,5-6,8-9H2,1H3
InChI Key:
BKDPSLWCFLFRJN-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)CNCC12CCC1
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.285g/mol
Monoisotopic Mass:
203.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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