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Home > Other Heterocycles > 101960-36-5
101960-36-5 | 4-Oxa-5-azaspiro[2.4]hept-5-ene, 6-(phenylmethyl)-
CAS No: 101960-36-5 Catalog No: AG000632 MDL No:
Product Description
Catalog Number:
AG000632
Chemical Name:
4-Oxa-5-azaspiro[2.4]hept-5-ene, 6-(phenylmethyl)-
CAS Number:
101960-36-5
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
IUPAC Name:
6-benzyl-4-oxa-5-azaspiro[2.4]hept-5-ene
InChI:
InChI=1S/C12H13NO/c1-2-4-10(5-3-1)8-11-9-12(6-7-12)14-13-11/h1-5H,6-9H2
InChI Key:
VZRPXJQAPSIOPU-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CC1=NOC2(C1)CC2
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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