6-메톡시-4-크로마논

6-methoxy-3,4-dihydro-2H-1-benzopyran-4-one

HCID 4612168

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 5802-17-5
표준 SMILES: COc1ccc2c(c1)C(=O)CCO2
InChIKey: LQIYOSKKKUPTRP-UHFFFAOYSA-N
분자식: C10H10O3
평균 분자량: 178.18 g/mol
단동위원소 질량: 178.06299418

이름 및 식별자

우선 이름: 6-methoxy-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC: 6-methoxy-2,3-dihydrochromen-4-one
현지명: 6-메톡시-4-크로마논
영어명: 6-Methoxy-4-chromanone
분자식: C10H10O3
분자량: 178.18

이름 및 동의어

6-methoxy-3,4-dihydro-2H-1-benzopyran-4-oneRefChem:543632870-582-66-methoxychroman-4-one5802-17-56-Methoxy-4-Chromanone6-methoxy-2,3-dihydrochromen-4-oneMFCD001901596-methoxy-2,3-dihydro-4H-chromen-4-one6-methoxy-chroman-4-oneDTXSID40404866M3135

이름 더 보기

6-메톡시-4-크로마논4-Chromanone, 6-methoxy-2,3-Dihydro-6-methoxy-4H-chromen-4-one6-methoxybenzenebenzodihydropyran-4-one2,3-Dihydro-6-methoxy-4H-benzopyran-4-one2,3-Dihydro-6-methoxy-4H-1-benzopyran-4-oneJR-14070, 2,3-Dihydro-6-methoxychromen-4-one, 97%

F1911-3048Z2837245504H-1-Benzopyran-4-one, 2,3-dihydro-6-methoxy-2,3-Dihydro-6-methoxychromen-4-oneA156676-Methoxy-2,3-dihydro-4H-1-benzopyran-4-oneSCHEMBL769313orb3029753

데이터베이스 식별자

CAS: 5802-17-5
PubChem CID: 4612168
DTXSID: DTXSID40404866
EC Number: 870-582-6
Nikkaji: J1.185.764G

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 202

물리화학적 성질

녹는점: 48 °C · 48 °C
끓는 점: 178 · 178-180 °C(Press: 23 Torr)
밀도: 1.205 · 1.205
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to lump
색상: Light yellow to Yellow to Orange
InChI: InChI=1S/C10H10O3/c1-12-7-2-3-10-8(6-7)9(11)4-5-13-10/h2-3,6H,4-5H2,1H3
InChIKey: LQIYOSKKKUPTRP-UHFFFAOYSA-N
SMILES: C1OC2=CC=C(OC)C=C2C(=O)C1

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.