6-Methoxy-2-methyl-2,3-dihydro-1H-inden-1-one

HCID 231178

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 5464-10-8
표준 SMILES: COc1ccc2c(c1)C(=O)C(C)C2
InChIKey: VXKMGRRBRAIZKF-UHFFFAOYSA-N
분자식: C11H12O2
평균 분자량: 176.21 g/mol
단동위원소 질량: 176.08372962

이름 및 식별자

우선 이름: 6-Methoxy-2-methyl-2,3-dihydro-1H-inden-1-one
IUPAC: 6-methoxy-2-methyl-2,3-dihydroinden-1-one
영어명: 6-methoxy-2-methyl-2,3-dihydro-1H-inden-1-one
분자식: C11H12O2
분자량: 176.21

이름 및 동의어

6-methoxy-2-methyl-2,3-dihydro-1h-inden-1-one5464-10-8DTXSID30282615RefChem:1074033DTXCID702337676-methoxy-2-methyl-2,3-dihydroinden-1-oneMFCD163016796-methoxy-2-methyl-1-indanoneCHEMBL3470236-Methoxy-2-methyl-indan-1-one6-Methoxy-2-methylindan-1-oneNSC26879

이름 더 보기

1H-Inden-1-one, 2,3-dihydro-6-methoxy-2-methyl-

6-methoxy-2-methylindanone6-methoxy-2-methyl-indanone6-methyoxy-2-methyl-indanoneSCHEMBL3860892SCHEMBL29894949VXKMGRRBRAIZKF-UHFFFAOYSA-NBDBM50008547NSC-26879

데이터베이스 식별자

CAS: 5464-10-8
PubChem CID: 231178
DTXSID: DTXSID30282615
ChEMBL: CHEMBL347023
EC Number: 171-531-4
Nikkaji: J460.214E

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 212

물리화학적 성질

끓는 점: 148 °C · 148 °C(Press: 10 Torr)
밀도: 1.1188 g/cm3 · 1.1188 g/cm3(Temp: 16.9 °C)
저장 조건: Store at room temperature

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.