기본 정보
- 표준 SMILES
COC(=O)C1=C(O)COC1=O- InChIKey
GIWLDPURHIORDX-UHFFFAOYSA-N- 분자식
- C6H6O5
- 평균 분자량
- 158.11 g/mol
- 단동위원소 질량
- 158.02152329
이름 및 식별자
- 우선 이름
- Methyl 4-hydroxy-2-oxo-2,5-dihydrofuran-3-carboxylate
- IUPAC
- methyl 3-hydroxy-5-oxo-2H-furan-4-carboxylate
이름 및 동의어
methyl 4-hydroxy-2-oxo-2,5-dihydrofuran-3-carboxylate78376-09-7RefChem:816457620-312-64-hydroxy-2-oxo-2,5-dihydro-furan-3-carboxylic acid methyl esterSCHEMBL230467GIWLDPURHIORDX-UHFFFAOYSA-GIWLDPURHIORDX-UHFFFAOYSA-NAKOS024341038NS000409654-(methoxycarbonyl)-5-oxo-2,5-dihydrofuran-3-olmethyl4-hydroxy-2-oxo-2,5-dihydrofuran-3-carboxylate
이름 더 보기
methyl 4-hydroxy-2-oxo-2,5-dihydro-3-furancarboxylateInChI=1/C6H6O5/c1-10-5(8)4-3(7)2-11-6(4)9/h7H,2H2,1H3
데이터베이스 식별자
- CAS
78376-09-7- PubChem CID
- 54677706
- EC Number
- 620-312-6
- Nikkaji
- J1.855.736C
물성
구조 계산 물성
- XLogP
- 0.2
- 극성 표면적
- 72.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 239
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.；There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (50%)；Eye Irrit. 2A (50%)；STOT SE 3 (50%)
관련 반응
3건
연결된 노트
불러오는 중…