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2059941-12-5 | 2,7,7-trimethyl-4H,6H,7H,8H-pyrrolo[1,2-a]pyrimidin-4-one
CAS No: 2059941-12-5 Catalog No: AG01BYTS MDL No:MFCD30487431
Product Description
Catalog Number:
AG01BYTS
Chemical Name:
2,7,7-trimethyl-4H,6H,7H,8H-pyrrolo[1,2-a]pyrimidin-4-one
CAS Number:
2059941-12-5
Molecular Formula:
C10H14N2O
Molecular Weight:
178.2310
MDL Number:
MFCD30487431
IUPAC Name:
2,7,7-trimethyl-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one
InChI:
InChI=1S/C10H14N2O/c1-7-4-9(13)12-6-10(2,3)5-8(12)11-7/h4H,5-6H2,1-3H3
InChI Key:
NNHGUUUBDXODJQ-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)n2c(n1)CC(C2)(C)C
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.111g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.235g/mol
Monoisotopic Mass:
178.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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