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1272758-05-0 | 2,5-Diazaspiro[3.4]octane-2-carboxylic acid, phenylmethyl ester
CAS No: 1272758-05-0 Catalog No: AG000WVM MDL No:MFCD18711406
Product Description
Catalog Number:
AG000WVM
Chemical Name:
2,5-Diazaspiro[3.4]octane-2-carboxylic acid, phenylmethyl ester
CAS Number:
1272758-05-0
Molecular Formula:
C14H18N2O2
Molecular Weight:
246.3049
MDL Number:
MFCD18711406
IUPAC Name:
benzyl 2,5-diazaspiro[3.4]octane-2-carboxylate
InChI:
InChI=1S/C14H18N2O2/c17-13(18-9-12-5-2-1-3-6-12)16-10-14(11-16)7-4-8-15-14/h1-3,5-6,15H,4,7-11H2
InChI Key:
RRZZJIWGDWBWGM-UHFFFAOYSA-N
SMILES:
O=C(N1CC2(C1)CCCN2)OCc1ccccc1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.137g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.31g/mol
Monoisotopic Mass:
246.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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