(²H?)benzoic acid

(²H?)benzoic acid

CAS: 1079-02-3

Formula: C7H6O2

SMILES: [2H]C1=C([2H])C([2H])=C(C([2H])=C1[2H])C(O)=O

IUPAC: (²H?)benzoic acid

InChI: InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i1D,2D,3D,4D,5D

Composition: C (66.12%), H (0.79%), [2H] (7.92%), O (25.16%)

Molar Mass: 127.154

Atom Count: 15

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	127.068163163
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	WPYMKLBDIGXBTP-RALIUCGRSA-N
Lipinski's Rule of Five	1
Molar Refractivity	33.31
Topological Polar Surface Area	37.3
Polarizability	12.65
Ring Count	1
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<5 Days	1079-02-3		$239.59$239.59