3,3-dimethyl-6-nitro-2,3-dihydro-1H-inden-1-one

HCID 12441786

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 67159-79-9
표준 SMILES: CC1(C)CC(=O)c2cc([N+](=O)[O-])ccc21
InChIKey: QPCPKZFKKMWXQT-UHFFFAOYSA-N
분자식: C11H11NO3
평균 분자량: 205.21 g/mol

이름 및 식별자

우선 이름: 3,3-dimethyl-6-nitro-2,3-dihydro-1H-inden-1-one
IUPAC: 3,3-dimethyl-6-nitro-2H-inden-1-one
영어명: 1H-Inden-1-one, 2,3-dihydro-3,3-dimethyl-6-nitro-
분자식: C11H11NO3
분자량: 205.21

이름 및 동의어

67159-79-93,3-dimethyl-6-nitro-2,3-dihydro-1H-inden-1-oneRefChem:485536861-442-53,3-Dimethyl-6-nitro-indan-1-one3,3-dimethyl-6-nitro-2H-inden-1-one3,3-Dimethyl-6-nitroindan-1-oneSCHEMBL6936653SCHEMBL30279034QPCPKZFKKMWXQT-UHFFFAOYSA-N1,1-Dimethyl-5-nitro-3-indanone3,3-dimethyl-6-nitro-1-indanone

이름 더 보기

1H-Inden-1-one, 2,3-dihydro-3,3-dimethyl-6-nitro-

6-Nitro-3,3-dimethyl-1-indanoneSCA159791,1-dimethyl-5-nitro-indan-3-oneMFCD14705049AKOS026741209BS-42644EN300-113636Z1463481087

데이터베이스 식별자

CAS: 67159-79-9
PubChem CID: 12441786
EC Number: 861-442-5

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 62.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 15
형식 전하: 0
복잡도: 305

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.