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1254809-47-6 | 3-Furancarbonitrile, tetrahydro-3-[(phenylmethyl)amino]-
CAS No: 1254809-47-6 Catalog No: AG000NPF MDL No:MFCD18333651
Product Description
Catalog Number:
AG000NPF
Chemical Name:
3-Furancarbonitrile, tetrahydro-3-[(phenylmethyl)amino]-
CAS Number:
1254809-47-6
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
MDL Number:
MFCD18333651
IUPAC Name:
3-(benzylamino)oxolane-3-carbonitrile
InChI:
InChI=1S/C12H14N2O/c13-9-12(6-7-15-10-12)14-8-11-4-2-1-3-5-11/h1-5,14H,6-8,10H2
InChI Key:
JMPCXIXBNHAQFR-UHFFFAOYSA-N
SMILES:
N#CC1(COCC1)NCc1ccccc1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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