6-Methoxycarbonyl-3-cyclohexene-1-carboxylic acid

HCID 139522

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 31139-03-4
표준 SMILES: COC(=O)C1CC=CCC1C(=O)O
InChIKey: MYYLMIDEMAPSGH-UHFFFAOYSA-N
분자식: C9H12O4
평균 분자량: 184.19 g/mol
단동위원소 질량: 184.07355886

이름 및 식별자

우선 이름: 6-Methoxycarbonyl-3-cyclohexene-1-carboxylic acid
IUPAC: 6-methoxycarbonylcyclohex-3-ene-1-carboxylic acid
영어명: Nsc292899
분자식: C9H12O4
분자량: 184.19

이름 및 동의어

6-Methoxycarbonyl-3-cyclohexene-1-carboxylic acid6-MccaRefChem:54370788335-93-756124-48-26-(methoxycarbonyl)cyclohex-3-enecarboxylic acid6-(methoxycarbonyl)cyclohex-3-ene-1-carboxylic acid6-methoxycarbonylcyclohex-3-ene-1-carboxylic acidMFCD00757425NSC292899323196-38-9(1R,6S)-6-methoxycarbonylcyclohex-3-ene-1-carboxylic acid

이름 더 보기

Trans-6-methoxycarbonylcyclohex-3-ene-1-carboxylic acid(1R,6R)-6-(Methoxycarbonyl)cyclohex-3-enecarboxylic acidtrans-4-Cyclohexene-1,2-dicarboxylic acid, monomethyl ester(1R,6R)-6-(methoxycarbonyl)cyclohex-3-ene-1-carboxylic acid(1R,6R)-rel-6-(methoxycarbonyl)cyclohex-3-ene-1-carboxylic acidrel-(1R,6R)-6-(Methoxycarbonyl)cyclohex-3-ene-1-carboxylic acid4-cyclohexene-1,2-dicarboxylic acid, 1-methyl ester, (1r,2r)-rel-

SCHEMBL417370(1R,6R)-6-(Methoxycarbonyl)-3-cyclohexenecarboxylic AcidSTK021891AKOS005379277NSC-292899SB45275DA-21097SY346296

데이터베이스 식별자

CAS: 31139-03-4、88335-93-7
PubChem CID: 139522
EC Number: 677-215-7
Nikkaji: J2.128.395I

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 63.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 244

물리화학적 성질

끓는 점: 306.5 · 306.5±42.0 °C(Predicted)
밀도: 1.231 · 1.231±0.06 g/cm3(Predicted)
저장 조건: Store at room temperature
산도 계수 (pKa): 4.26 · 4.26±0.40(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

공급사10 곳

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Aladdin Scientific[email protected]

学研惠（武汉）科技有限公司15727060112 · [email protected]

金瓯生物医药（南京）有限公司13000000000 · [email protected]

上海华默西医药科技有限公司021-+86-021-38228826 · [email protected]

화합물 노트

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