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2-bromo-3-methoxypropanoic acid

2-bromo-3-methoxypropanoic acid

CAS: 65090-78-0

Formula: C4H7BrO3

SMILES: COCC(Br)C(O)=O

IUPAC: 2-bromo-3-methoxypropanoic acid

InChI: InChI=1/C4H7BrO3/c1-8-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)

Composition: C (26.25%), H (3.86%), Br (43.66%), O (26.23%)

Molar Mass: 183.001

Atom Count: 15

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 181.957857
Formal Charge 0
FSP3 0.75
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey PSAODTDHXIDDAT-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 31.17
Topological Polar Surface Area 46.53
Polarizability 12.46
Ring Count 0
Rotatable Bond Count 3

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