(3E)-4-(3,4-dihydroxyphenyl)but-3-en-2-one

(3E)-4-(3,4-dihydroxyphenyl)but-3-en-2-one

CAS: 37079-84-8

Formula: C10H10O3

SMILES: CC(=O)C=CC1=CC=C(O)C(O)=C1

IUPAC: (3E)-4-(3,4-dihydroxyphenyl)but-3-en-2-one

InChI: InChI=1S/C10H10O3/c1-7(11)2-3-8-4-5-9(12)10(13)6-8/h2-6,12-13H,1H3/b3-2+

Composition: C (67.41%), H (5.66%), O (26.94%)

Molar Mass: 178.187

Atom Count: 23

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	178.062994182
Formal Charge	0
FSP3	0.1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	YIFZKRGUGKLILR-NSCUHMNNSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.57
Topological Polar Surface Area	57.53
Polarizability	18.73
Ring Count	1
Rotatable Bond Count	2

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