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6630-55-3 | 1-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidine-4-carbaldehyde
CAS No: 6630-55-3 Catalog No: AG006NJQ MDL No:
Product Description
Catalog Number:
AG006NJQ
Chemical Name:
1-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidine-4-carbaldehyde
CAS Number:
6630-55-3
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
IUPAC Name:
1-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidine-4-carbaldehyde
InChI:
InChI=1S/C13H14N2O3/c1-15-11(17)13(9-16,14-12(15)18)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,18)
InChI Key:
FBRPRHDVWNJYSV-UHFFFAOYSA-N
SMILES:
O=CC1(CCc2ccccc2)NC(=O)N(C1=O)C
NSC Number:
60879
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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