기본 정보
- CAS
306934-80-5- 표준 SMILES
O.O=C(O)c1ccc(=O)[nH]n1- InChIKey
DZCBVXKRERSHAA-UHFFFAOYSA-N- 분자식
- C5H6N2O4
- 평균 분자량
- 158.11 g/mol
- 단동위원소 질량
- 158.03275667
개요
See also: 6-Hydroxypyridazine-3-carboxylic Acid (annotation moved to).
이름 및 식별자
- 우선 이름
- 6-Hydroxy-3-pyridazinecarboxylic acid monohydrate
- IUPAC
- 6-oxo-1H-pyridazine-3-carboxylic acid;hydrate
- 현지명
- 6-OXO-1,6-디히드로피리다진-3-카르복실산일수화물
- 영어명
- 6-Oxo-1,6-dihydropyridazine-3-carboxylic acid monohydrate
- 분자식
- C5H6N2O4
- 분자량
- 158.11
이름 및 동의어
306934-80-56-HYDROXY-3-PYRIDAZINECARBOXYLIC ACID MONOHYDRATE6-Oxo-1,6-dihydropyridazine-3-carboxylic acid monohydrate6-Hydroxypyridazine-3-carboxylic acid hydrateMFCD092587876-oxo-1H-pyridazine-3-carboxylic acid;hydrate6-Hydroxypyridazine-3-carboxylic Acid Monohydrate1,6-Dihydro-6-oxopyridazine-3-carboxylic acid monohydrate6-oxohydropyridazine-3-carboxylic acid, hydrate6-oxo-1,6-dihydropyridazine-3-carboxylic acid hydrate3-Pyridazinecarboxylic acid, 1,6-dihydro-6-oxo-, monohydrateSCHEMBL938505
이름 더 보기
6-OXO-1,6-디히드로피리다진-3-카르복실산일수화물3-Carboxy-1,6-dihydro-6-oxopyridazine monohydrate6-Hydroxypyridazine-3-carboxylicAcidMonohydrate>6-oxo-1,6-dihydropyridazine-3-carboxylic acid hydrate3-Pyridazinecarboxylicacid, 1,6-dihydro-6-oxo-, hydrate (1:1)3-Pyridazinecarboxylicacid,1,6-dihydro-6-oxo-,monohydrate(9CI)
SCHEMBL2130375DTXSID90379151DZCBVXKRERSHAA-UHFFFAOYSA-N6-Oxo-1,6-dihydro-3-pyridazinecarboxylic acid hydrate (1:1)STR06357MFCD02090600SBB053229AKOS015903798
데이터베이스 식별자
- CAS
306934-80-5- PubChem CID
- 2774651
- DTXSID
DTXSID90379151
물성
구조 계산 물성
- 극성 표면적
- 79.8 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 241
물리화학적 성질
- 녹는점
- 265 °C · 265°C
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- soluble in Dimethylformamide
- 물리적 상태
- powder to crystal
- 색상
- 흰색에서 거의 흰색
- InChI
- 1S/C5H4N2O3.H2O/c8-4-2-1-3(5(9)10)6-7-4;/h1-2H,(H,7,8)(H,9,10);1H2
- InChIKey
- DZCBVXKRERSHAA-UHFFFAOYSA-N
- SMILES
- O.OC(=O)C1=NNC(=O)C=C1
안전 및 규제
안전 데이터
- wgk
- WGK 3
- HS 번호
- 2933998090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- 위험 참고 사항
- Irritant
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
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