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

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

CAS: 13328-85-3

Formula: C10H10O3

SMILES: OC(=O)C1OCCC2=CC=CC=C12

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

InChI: InChI=1/C10H10O3/c11-10(12)9-8-4-2-1-3-7(8)5-6-13-9/h1-4,9H,5-6H2,(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	1
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	ZHCPCHSZBGPHCK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.76
Topological Polar Surface Area	46.53
Polarizability	18.1
Ring Count	2
Rotatable Bond Count	1

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