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116574-14-2 | Acetic acid, 2-cyano-, 1-(diphenylmethyl)-3-azetidinyl ester
CAS No: 116574-14-2 Catalog No: AG000CSX MDL No:MFCD09032927
Product Description
Catalog Number:
AG000CSX
Chemical Name:
Acetic acid, 2-cyano-, 1-(diphenylmethyl)-3-azetidinyl ester
CAS Number:
116574-14-2
Molecular Formula:
C19H18N2O2
Molecular Weight:
306.3584
MDL Number:
MFCD09032927
IUPAC Name:
(1-benzhydrylazetidin-3-yl) 2-cyanoacetate
InChI:
InChI=1S/C19H18N2O2/c20-12-11-18(22)23-17-13-21(14-17)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,19H,11,13-14H2
InChI Key:
KSZGPBFUBSHVTO-UHFFFAOYSA-N
SMILES:
N#CCC(=O)OC1CN(C1)C(c1ccccc1)c1ccccc1
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.137g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.365g/mol
Monoisotopic Mass:
306.137g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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