메틸2-하이드록시-1-NAPHTHOATE

Methyl 2-hydroxy-1-naphthoate

HCID 598533CAS 947-65-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)c1c(O)ccc2ccccc12
InChIKey: LEENMPKUUNPLHM-UHFFFAOYSA-N
분자식: C12H10O3
평균 분자량: 202.21 g/mol
단동위원소 질량: 202.06299418

이름 및 식별자

우선 이름: Methyl 2-hydroxy-1-naphthoate
IUPAC: methyl 2-hydroxynaphthalene-1-carboxylate
현지명: 메틸2-하이드록시-1-NAPHTHOATE
영어명: METHYL 2-HYDROXY-1-NAPHTHOATE
분자식: C12H10O3
분자량: 202.21

이름 및 동의어

Methyl 2-hydroxy-1-naphthoate947-65-9DTXSID80344651RefChem:1089330DTXCID90295726methyl 2-hydroxynaphthalene-1-carboxylateMethyl-2-hydroxy-1-naphthalene carboxylateMFCD004541462-Hydroxy-1-naphthoic acid methyl ester2-Hydroxynaphthalene-1-carboxylic acid methyl ester1-Naphthalenecarboxylic acid, 2-hydroxy-, methyl esterOprea1_467520

이름 더 보기

메틸2-하이드록시-1-NAPHTHOATEMETHYL 2-HYDROXY-1-PHTHOATE2-Hydroxymethyl 1-naphthoic acidMethyl 3,4-dihydro-2-hydroxy-1-naphthoate

2-hydroxy-1-naphthalenecarboxylic acid methyl esterSCHEMBL1638703RARECHEM AL BF 0092Methyl 2-hydroxy-1-naphthoate #2-Hydroxy-1-naphthoate methyl estermethyl 2-hydroxynaphthalenecarboxylateAKOS0029452922-Hydroxy-naphthoic acid, methyl ester

데이터베이스 식별자

CAS: 947-65-9
PubChem CID: 598533
DTXSID: DTXSID80344651
EC Number: 677-437-4
Nikkaji: J45.877E

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 239

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 79 · 79-81°C
끓는 점: 330.5 · 330.5±15.0 °C(Predicted)
밀도: 1.264 · 1.264±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 8.02 · 8.02±0.50(Predicted)

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)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.