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Home > Other Heterocycles > 89185-17-1
89185-17-1 | 2,4-Diazabicyclo[4.1.0]hept-2-en-5-one, 4-(phenylmethyl)-
CAS No: 89185-17-1 Catalog No: AG005OE0 MDL No:
Product Description
Catalog Number:
AG005OE0
Chemical Name:
2,4-Diazabicyclo[4.1.0]hept-2-en-5-one, 4-(phenylmethyl)-
CAS Number:
89185-17-1
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
IUPAC Name:
4-benzyl-2,4-diazabicyclo[4.1.0]hept-2-en-5-one
InChI:
InChI=1S/C12H12N2O/c15-12-10-6-11(10)13-8-14(12)7-9-4-2-1-3-5-9/h1-5,8,10-11H,6-7H2
InChI Key:
SYOSMMFSNGYVSM-UHFFFAOYSA-N
SMILES:
O=C1N(C=NC2C1C2)Cc1ccccc1
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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