3,4,5-trihydroxy-N-(prop-2-yn-1-yl)benzamide

3,4,5-trihydroxy-N-(prop-2-yn-1-yl)benzamide

Formula: C10H9NO4

SMILES: OC1=CC(=CC(O)=C1O)C(=O)NCC#C

IUPAC: 3,4,5-trihydroxy-N-(prop-2-yn-1-yl)benzamide

InChI: InChI=1S/C10H9NO4/c1-2-3-11-10(15)6-4-7(12)9(14)8(13)5-6/h1,4-5,12-14H,3H2,(H,11,15)

Composition: C (57.97%), H (4.38%), N (6.76%), O (30.89%)

Molar Mass: 207.185

Atom Count: 24

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	207.053157774
Formal Charge	0
FSP3	0.1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
InChIKey	YCBQWQWEFWLUKD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.56
Topological Polar Surface Area	89.79
Polarizability	19.49
Ring Count	1
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C10H9NO4		Quote Only