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3-methylphenylalanine

3-methylphenylalanine

CAS: 5472-70-8

Formula: C10H13NO2

SMILES: CC1=CC(CC(N)C(O)=O)=CC=C1

IUPAC: 2-amino-3-(3-methylphenyl)propanoic acid

InChI: InChI=1/C10H13NO2/c1-7-3-2-4-8(5-7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)

Composition: C (67.02%), H (7.31%), N (7.82%), O (17.85%)

Molar Mass: 179.219

Atom Count: 26

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 179.094628663
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey JZRBSTONIYRNRI-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.16
Topological Polar Surface Area 63.32
Polarizability 19.65
Ring Count 1
Rotatable Bond Count 3

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