7-히드록시-4-메틸-1-인다논

7-Hydroxy-4-methyl-1-indanone

HCID 12436244CAS 67901-82-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccc(O)c2c1CCC2=O
InChIKey: FXEWVKMVYBQMET-UHFFFAOYSA-N
분자식: C10H10O2
평균 분자량: 162.18 g/mol
단동위원소 질량: 162.06807956

이름 및 식별자

우선 이름: 7-Hydroxy-4-methyl-1-indanone
IUPAC: 7-hydroxy-4-methyl-2,3-dihydroinden-1-one
현지명: 7-히드록시-4-메틸-1-인다논
영어명: 7-HYDROXY-4-METHYL-1-INDANONE 97
분자식: C10H10O2
분자량: 162.19

이름 및 동의어

7-Hydroxy-4-methyl-1-indanoneRefChem:546566623-153-067901-82-07-Hydroxy-4-methyl-2,3-dihydro-1H-inden-1-one7-HYDROXY-4-METHYL-2,3-DIHYDROINDEN-1-ONEMFCD073697194-METHYL-7-HYDROXY-1-INDANONE7-Hydroxy-4-methylindanoneSCHEMBL9579265DTXSID60498202CS-W014322

이름 더 보기

7-히드록시-4-메틸-1-인다논7-하이드록시-4-메틸-1-인다논971111657-Hydroxy-4-methylindan-1-one4-Methyl-7-hydroxyindan-1-one7-Hydroxy-5-methyl-indan-1-one7-HYDROXY-4-METHYL-1-INDANONE 976-Hydroxy-2,3-dimethyl-benzaldehyde

7-Hydroxy-4-methyl-1-indanone, 97%AC-23410F19150AM1136FT-07323602,3-dihydro-7-hydroxy-4-methyl-1H-Inden-1-one7-hydroxy-4-methyl-indan-1-oneAKOS015842464

데이터베이스 식별자

CAS: 67901-82-0
PubChem CID: 12436244
DTXSID: DTXSID60498202
EC Number: 623-153-0

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 200

물리화학적 성질

녹는점: 109 · 109-112 °C (lit.)
끓는 점: 339.3 · 339.3±41.0 °C(Predicted)
밀도: 1.25 · 1.250±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: solid
산도 계수 (pKa): 10.59 · 10.59±0.20(Predicted)
InChI: 1S/C10H10O2/c1-6-2-4-8(11)10-7(6)3-5-9(10)12/h2,4,11H,3,5H2,1H3
InChIKey: FXEWVKMVYBQMET-UHFFFAOYSA-N
SMILES: Cc1ccc(O)c2C(=O)CCc12

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.