2,4(1H, 3H)-아세톤, 1-메틸기-

: IUPAC이름：1-methylquinazoline-2,4-dione; CAS 레지스트리 번호: 604-50-2; 분자 무게：176.18

1. 이름 및 식별자

: 1.1 제품명; 2,4(1H, 3H)-아세톤, 1-메틸기-; 1.2 동의어; 1,2,3,4-Tetrahydro-1-methyl-2,4-dioxoquinazoline 1-Methyl-1,2,3,4-tetrahydroquinazoline-2,4-dione 1-Methyl-1H-quinazoline-2,4-dione 1-Methyl-2,4(1H,3H)-quinazolinedione 1-methyl-2,4(1H,3H)-quinazolinedione(SALTDATA: FREE) 1-Methyl-2,4-quinazolinedione 1-Methyl-5,6-[1,3]butadienopyrimidine-2,4(1H,3H)-dione 1-methylquinazoline-2,4(1H,3H)-dione 1-methylquinazoline-2,4-dione 1-methylquinazoline-2,4-quinone 2,4(1H,3H)-Quinazolinedione, 1-methyl- Glycosmicine NSC 401254; 모두 보기

1.6 Inchi: InChI=1S/C9H8N2O2/c1-11-7-5-3-2-4-6(7)8(12)10-9(11)13/h2-5H,1H3,(H,10,12,13)

2. 속성

3. MSDS 정보

no data available

no data available

4. 합성 선형

604-50-2Total: 1 합성 선형

86-96-4 97 공급자

607-19-2 2 공급자

604-50-2 3 공급자

문헌:
Ashirmatov; Urakov; Shakhidoyatov Chemistry of Heterocyclic Compounds, 1996 , vol. 32, # 6 p. 708 - 711
공장: ~15%

5. 화학 데이터 계산

분자량: 176.17202g/mol
분자식: C₉H₈N₂O₂
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 176.058577502
Monoisotopic Mass: 176.058577502
Complexity: 252
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 49.4
Heavy Atom Count: 13
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBzMAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACxAAAAHgAQAAAADAiBmAQzwIPAAACIAiVSUACCAAAlAgAIiAEIZMiIIDrA1ZGEIYhohyJIyecYiACOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==