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88696-65-5 | Pyrrolo[1,2-c]pyrimidin-1(2H)-one, 2,3-dimethyl-6-phenyl-
CAS No: 88696-65-5 Catalog No: AG0047HA MDL No:
Product Description
Catalog Number:
AG0047HA
Chemical Name:
Pyrrolo[1,2-c]pyrimidin-1(2H)-one, 2,3-dimethyl-6-phenyl-
CAS Number:
88696-65-5
Molecular Formula:
C15H14N2O
Molecular Weight:
238.2845
IUPAC Name:
2,3-dimethyl-6-phenylpyrrolo[1,2-c]pyrimidin-1-one
InChI:
InChI=1S/C15H14N2O/c1-11-8-14-9-13(12-6-4-3-5-7-12)10-17(14)15(18)16(11)2/h3-10H,1-2H3
InChI Key:
HIZBEUDRQOIYMS-UHFFFAOYSA-N
SMILES:
Cn1c(C)cc2n(c1=O)cc(c2)c1ccccc1
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.29g/mol
Monoisotopic Mass:
238.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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