aspirin

aspirin

CAS: 50-78-2

Formula: C9H8O4

SMILES: CC(=O)OC1=C(C=CC=C1)C(O)=O

IUPAC: 2-(acetyloxy)benzoic acid

InChI: InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)

Composition: C (60.00%), H (4.48%), O (35.52%)

Molar Mass: 180.159

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	8-hour bayer; A.S.A. empirin; ASA; ECM; O-accetylsalicylic acid; Xaxa; acenterine; acesal; acetal; acetard; aceticyl; acetilsalicilico; acetilum acidulatum; acetisal; acetophen; acetosal; acetosalic acid; acetosalin; acetoxybenzoic acid; acetyl salicylic acid; acetylin; acetylsal; acetylsalicyclic acid; acetylsalicylic acid; acetylsalicylsaeure; acetylsalicylsaure; acetylsalycilic acid; acetyonyl; acetysal; acetysalicylic acid; acid, acetylsalicylic; acide 2-(acetyloxy)benzoique; acide acetylsalicylique; acide acetylsalicylique (french); acido O-acetil-benzoico; acido acetilsalicilico; acidum acetylsalicylicum; acimetten; acisal; acylpyrin; adiro; aloxiprimum; asagran; asatard; ascoden-30; aspalon; aspec; aspergum; aspirdrops; aspirin; aspirin (product); aspirin (substance); aspirin - chemical; aspirin preparation; aspirina 03; aspirine; aspro; aspro clear; asteric; azetylsalizylsaeure; bayer extra strength aspirin for migraine pain; benaspir; bi-prin; bialpirina; bialpirinia; caprin; cardioaspirina; cemirit; claradin; clariprin; colfarit; contrheuma retard; coricidin; crystar; decaten; delgesic; dispril; dolean ph 8; duramax; easprin; ecolen; ecotrin; empirin; endosprin; endydol; entericin; enterophen; enterosarein; enterosarine; entrophen; extren; globentyl; globoid; helicon; idragin; istopirin; kapsazal; kyselina 2-acetoxybenzoova; kyselina acetylsalicylova; levius; magnecyl; measurin; medisyl; micristin; neuronika; novid; nu-seals; nu-seals aspirin; persistin; pharmacin; pirseal; polopirin; polopiryna; premaspin; rheumin tabletten; rheumintabletten; rhodine; rhonal; ronal; salacetin; salcetogen; saletin; salicylic acid acetate; salicylic acid, acetate; salospir; solfrin; solprin; solprin acid; solpyron; solupsan; spira-dine; st. joseph; st. joseph aspirin for adults; supac; tasprin; temperal; toldex; triaminicin; triple-sal; vanquish; yasta; zorprin; 阿司匹林
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	180.042258738
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BSYNRYMUTXBXSQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.45
Topological Polar Surface Area	63.6
Polarizability	17.15
Ring Count	1
Rotatable Bond Count	3

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