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3,4-dihydro-2H-1-benzopyran-5-carboxylic acid

3,4-dihydro-2H-1-benzopyran-5-carboxylic acid

CAS: 209256-64-4

Formula: C10H10O3

SMILES: OC(=O)C1=CC=CC2=C1CCCO2

IUPAC: 3,4-dihydro-2H-1-benzopyran-5-carboxylic acid

InChI: InChI=1S/C10H10O3/c11-10(12)8-3-1-5-9-7(8)4-2-6-13-9/h1,3,5H,2,4,6H2,(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 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 GOHXEALVTBUNGX-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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