기본 정보
- 표준 SMILES
CCOC=C(C#N)C(=O)OCC- InChIKey
KTMGNAIGXYODKQ-UHFFFAOYSA-N- 분자식
- C8H11NO3
- 평균 분자량
- 169.18 g/mol
- 단동위원소 질량
- 169.07389321
이름 및 식별자
- 우선 이름
- 2-Propenoic acid, 2-cyano-3-ethoxy-, ethyl ester
- IUPAC
- ethyl 2-cyano-3-ethoxyprop-2-enoate
이름 및 동의어
DTXSID4059097RefChem:197938DTXCID50488952-PROPENOIC ACID, 2-CYANO-3-ETHOXY-, ETHYL ESTERethyl 2-cyano-3-ethoxy-prop-2-enoateEthyl 2-(Ethoxymethylene)-2-cyanoacetateEthyl(ethoxymethylene)cyanoacetate2-CYANO-3-ETHOXY-ACRYLIC ACID ETHYL ESTERethylethoxymethylenecyanoacetateSCHEMBL167037ethyl-2-cyano-3-ethoxyacrylateethyl 2-cyano-3-ethyoxyacrylate
이름 더 보기
ethyl ethoxy-methylenecyanoacetateEthyl 2-cyano-3-ethoxy-acrylateethyl 3-ethoxy-2-cyanopropenoateKTMGNAIGXYODKQ-UHFFFAOYSA-Nethyl ethoxy-methylene-cyanoacetateethyl(ethoxymethylene)-cyanoacetateAcrylic acid, 2-cyano-3-ethoxy-, ethyl ester (6CI,7CI,8CI); 2-(Ethoxymethylene)-2-cyanoacetic acid ethyl ester; 2-Cyano-3-ethoxy-2-propenoic acid ethyl esterethyl (ethoxymethylene)-cyanoacetate
데이터베이스 식별자
- CAS
94-05-3- PubChem CID
- 78943
- DTXSID
DTXSID4059097
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 59.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 224
안전 및 규제
유해성 정보
Regulatory InformationEthyl ethoxymethylenecyanoacetate: Does not have an individual approval but may be used under an appropriate group standard
화학 및 산업
용도 및 제조
General Manufacturing Information2-Propenoic acid, 2-cyano-3-ethoxy-, ethyl ester: ACTIVE
관련 반응
186건
연결된 노트
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