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876149-41-6 | N-(3-Azetidinylmethyl)carbamic acid phenylmethyl ester
CAS No: 876149-41-6 Catalog No: AG004P5J MDL No:MFCD07772069
Product Description
Catalog Number:
AG004P5J
Chemical Name:
N-(3-Azetidinylmethyl)carbamic acid phenylmethyl ester
CAS Number:
876149-41-6
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD07772069
IUPAC Name:
benzyl N-(azetidin-3-ylmethyl)carbamate
InChI:
InChI=1S/C12H16N2O2/c15-12(14-8-11-6-13-7-11)16-9-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H,14,15)
InChI Key:
RNPDRAJKEJXSMC-UHFFFAOYSA-N
SMILES:
O=C(NCC1CNC1)OCc1ccccc1
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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