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85277-27-6 | 2(1H)-Quinazolinone, 4-ethyl-5,6,7,8-tetrahydro-
CAS No: 85277-27-6 Catalog No: AG004PNI MDL No:
Product Description
Catalog Number:
AG004PNI
Chemical Name:
2(1H)-Quinazolinone, 4-ethyl-5,6,7,8-tetrahydro-
CAS Number:
85277-27-6
Molecular Formula:
C10H14N2O
Molecular Weight:
178.2310
IUPAC Name:
4-ethyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
InChI:
InChI=1S/C10H14N2O/c1-2-8-7-5-3-4-6-9(7)12-10(13)11-8/h2-6H2,1H3,(H,11,12,13)
InChI Key:
SBBFXEBVJMCJGX-UHFFFAOYSA-N
SMILES:
CCc1nc(=O)[nH]c2c1CCCC2
Properties
Complexity:
302
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:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.235g/mol
Monoisotopic Mass:
178.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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