(R)-chroman-2-carboxylic acid

HCID 6933107

노트 반응

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기본 정보

CAS: 83780-47-6
표준 SMILES: O=C(O)[C@H]1CCc2ccccc2O1
InChIKey: SFLFCQJQOIZMHF-SECBINFHSA-N
분자식: C10H10O3
평균 분자량: 178.18 g/mol
단동위원소 질량: 178.06299418

이름 및 식별자

우선 이름: (R)-chroman-2-carboxylic acid
IUPAC: (2R)-3,4-dihydro-2H-chromene-2-carboxylic acid
영어명: (R)-chroman-2-carboxylic acid
분자식: C10H10O3
분자량: 178.18

이름 및 동의어

(R)-chroman-2-carboxylic acid83780-47-6(2R)-3,4-dihydro-2H-1-benzopyran-2-carboxylic acidMFCD16875512(2R)-3,4-dihydro-2H-chromene-2-carboxylic acid(R)-chroman-2-carboxylicacidSCHEMBL230023(r)-chromane-2-carboxylic acidSCHEMBL29388635(2R)-chromane-2-carboxylic acidSFLFCQJQOIZMHF-SECBINFHSA-NDTXSID701308042

이름 더 보기

2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-, (2R)-(2R)-2-Chromanecarboxylic acid

(R)-(-)-Chromane-2-carboxylic acidSY269704EN300-392925(-)-(R)-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid(R)-Chroman-2-carboxylic Acid; 2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-, (2R)-; 2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-, (R)-; (2R)-3,4-Dihydro-2H-1-benzopyran-2-carboxylic acid; (2R)-3,4-Dihydro-2H-chromene-2-carboxylic acid; (2R)-3,4-Dihydro-2H-chromene-2-carboxylic ac

데이터베이스 식별자

CAS: 83780-47-6
PubChem CID: 6933107
DTXSID: DTXSID701308042
EC Number: 139-834-6
Nikkaji: J2.058.273A

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 202

물리화학적 성질

끓는 점: 356.1 · 356.1±31.0 °C(Predicted)
밀도: 1.276 · 1.276±0.06 g/cm3(Predicted)
산도 계수 (pKa): 3.09 · 3.09±0.20(Predicted)
물리적 상태: solid
InChI: 1S/C10H10O3/c11-10(12)9-6-5-7-3-1-2-4-8(7)13-9/h1-4,9H,5-6H2,(H,11,12)/t9-/m1/s1
InChIKey: SFLFCQJQOIZMHF-SECBINFHSA-N
SMILES: O=C(O)[C@@H]1OC2=CC=CC=C2CC1

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.