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69912-22-7 | Pyrimido[1,2-a]azepin-4(6H)-one, 7,8,9,10-tetrahydro-2-methyl-
CAS No: 69912-22-7 Catalog No: AG005H21 MDL No:
Product Description
Catalog Number:
AG005H21
Chemical Name:
Pyrimido[1,2-a]azepin-4(6H)-one, 7,8,9,10-tetrahydro-2-methyl-
CAS Number:
69912-22-7
Molecular Formula:
C10H14N2O
Molecular Weight:
178.2310
IUPAC Name:
2-methyl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one
InChI:
InChI=1S/C10H14N2O/c1-8-7-10(13)12-6-4-2-3-5-9(12)11-8/h7H,2-6H2,1H3
InChI Key:
DMFZVKFRXTZJLR-UHFFFAOYSA-N
SMILES:
Cc1nc2CCCCCn2c(=O)c1
Properties
Complexity:
291
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:
0.6
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