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783372-45-2

783372-45-2 | 2(3H)-Furanone, dihydro-3-[1-[(phenylmethyl)amino]ethylidene]-, (3Z)-

CAS No: 783372-45-2 Catalog No: AG0053KZ MDL No:

Product Description

Catalog Number:
AG0053KZ
Chemical Name:
2(3H)-Furanone, dihydro-3-[1-[(phenylmethyl)amino]ethylidene]-, (3Z)-
CAS Number:
783372-45-2
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
3-[1-(benzylamino)ethylidene]oxolan-2-one
InChI:
InChI=1S/C13H15NO2/c1-10(12-7-8-16-13(12)15)14-9-11-5-3-2-4-6-11/h2-6,14H,7-9H2,1H3
InChI Key:
QVWKPQCFVGLHLG-UHFFFAOYSA-N
SMILES:
C/C(=C/1\CCOC1=O)/NCc1ccccc1

Properties

Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.8  

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