(²H?)propan(²H)oic acid

(²H?)propan(²H)oic acid

CAS: 19448-61-4

Formula: C3H6O2

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

IUPAC: (²H?)propan(²H)oic acid

InChI: InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i1D3,2D2/hD

Composition: C (44.98%), H (0.00%), [2H] (15.08%), O (39.94%)

Molar Mass: 80.116

Atom Count: 11

Heavy Atom Count: 5

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	80.074439909
Formal Charge	0
FSP3	0.67
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XBDQKXXYIPTUBI-WYMDYBCKSA-N
Lipinski's Rule of Five	1
Molar Refractivity	17.27
Topological Polar Surface Area	37.3
Polarizability	6.83
Ring Count	0
Rotatable Bond Count	1

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