코리스믹산

코리스믹산 · Chorismate · chorismicaci · (-)-Chorismate · Chorismic acid · CHORISMIC ACID FREE ACID FROM & · chorismic acid from enterobacter aerogenes · ChorisMic acid froM Enterobacter aerogenes >=80%

https://huagongshe.com/ko/chemical/12039

식별자 및 물리적 특성

CAS No.	617-12-9
분자식	C10H10O6
평균 분자량	226.18 g/mol
단동위원소 질량	226.04773804 g/mol
SMILES	C=C(O[C@@H]1C=C(C(=O)O)C=C[C@H]1O)C(=O)O
InChIKey	WTFXTQVDAKGDEY-HTQZYQBOSA-N
PubChem CID	12039
ChEBI	CHEBI:17333
EC No.	636-403-9
DTXSID	DTXSID50210697
현지명	코리스믹산

화학 및 물리적 성질

XLogP	0.2
극성 표면적	104
수소 결합 공여자 수	3
수소 결합 수용자 수	6
회전 가능 결합 수	4
무거운 원자 수	16
형식 전하	0
복잡도	392
녹는점	140 °C105-108° (dec)
Physical Description	Solid
끓는 점	556.1±50.0 °C(Predicted)
밀도	1.49±0.1 g/cm3(Predicted)
저장 조건	-20°C
pKa(산도 계수)	3.59±0.11(Predicted)
물리적 상태	powder
InChI	1S/C10H10O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m1/s1
InChIKey	WTFXTQVDAKGDEY-HTQZYQBOSA-N
SMILES	O[C@@H]1C=CC(=C[C@H]1OC(=C)C(O)=O)C(O)=O

안전 및 규제

GHS 분류	DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)
수질 위해 등급(WGK)	3
위험 문구(R)	45-20/21/22-36/37/38-63
위험 표시	T
안전 문구(S)	53-23-36/37/39-45
위험 등급	Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralCarc. 1BEye Irrit. 2Repr. 2Skin Irrit. 2STOT SE 3
저장 분류	6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

용도

Chorismic acid is a metabolite generally used in the study of chorismate-prephenate rearrangement and to synthesize chorismate derivatives.