CAS 22901-11-7 2-(3,4-dihydro-1H-2-benzopyran-1-yl)acetic acid (HCID 13308864)

기본 정보

CAS: 22901-11-7
표준 SMILES: O=C(O)CC1OCCc2ccccc21
InChIKey: CTZWEXAQFFYMQD-UHFFFAOYSA-N
분자식: C11H12O3
평균 분자량: 192.21 g/mol
단동위원소 질량: 192.07864424

이름 및 식별자

우선 이름: 2-(3,4-dihydro-1H-2-benzopyran-1-yl)acetic acid
IUPAC: 2-(3,4-dihydro-1H-isochromen-1-yl)acetic acid
현지명: RARECHEMAM영국0021
영어명: RARECHEM AM UK 0021
분자식: C11H12O3
분자량: 192.21

이름 및 동의어

2-(3,4-dihydro-1H-2-benzopyran-1-yl)acetic acid3,4-Dihydro-1H-2-benzopyran-1-acetic acidRefChem:454599845-242-522901-11-72-(Isochroman-1-yl)acetic acid2-(3,4-Dihydro-1H-isochromen-1-yl)acetic acidIsochromane-1-acetic Acid(isochroMan-1-yl)acetic acidMFCD057213611H-2-Benzopyran-1-acetic acid, 3,4-dihydro-1-Isochromanacetic acid

이름 더 보기

RARECHEMAM영국0021

(-)-isochromanylacetic acid2-isochroman-1-ylacetic acid2-(Isochroman-1-yl)aceticacidSCHEMBL7396662RARECHEM AM UK 0021DTXSID70536184CTZWEXAQFFYMQD-UHFFFAOYSA-N(+)-(isochroman-1-yl)acetic acid

데이터베이스 식별자

CAS: 22901-11-7
PubChem CID: 13308864
DTXSID: DTXSID70536184
EC Number: 845-242-5
Nikkaji: J665.592K

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 215

물리화학적 성질

녹는점: 70 · 70-71℃
저장 조건: 2 · 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.