3,4-dihydro-2H-1-benzopyran-6-carboxylic acid

3,4-dihydro-2H-1-benzopyran-6-carboxylic acid

CAS: 103203-84-5

Formula: C10H10O3

SMILES: OC(=O)C1=CC=C2OCCCC2=C1

IUPAC: 3,4-dihydro-2H-1-benzopyran-6-carboxylic acid

InChI: InChI=1S/C10H10O3/c11-10(12)8-3-4-9-7(6-8)2-1-5-13-9/h3-4,6H,1-2,5H2,(H,11,12)

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	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	IFKANGOXGBPILW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.69
Topological Polar Surface Area	46.53
Polarizability	18.07
Ring Count	2
Rotatable Bond Count	1

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