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3-[(4-methylphenyl)formamido]propanoic acid

3-[(4-methylphenyl)formamido]propanoic acid

CAS: 446828-78-0

Formula: C11H13NO3

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

IUPAC: 3-[(4-methylphenyl)formamido]propanoic acid

InChI: InChI=1S/C11H13NO3/c1-8-2-4-9(5-3-8)11(15)12-7-6-10(13)14/h2-5H,6-7H2,1H3,(H,12,15)(H,13,14)

Composition: C (63.76%), H (6.32%), N (6.76%), O (23.16%)

Molar Mass: 207.229

Atom Count: 28

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 207.089543283
Formal Charge 0
FSP3 0.27
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey MGMCLJIRNXMSQX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.86
Topological Polar Surface Area 66.4
Polarizability 20.99
Ring Count 1
Rotatable Bond Count 4

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95% <4 Days 446828-78-0 $80.50-$1,518.00$80.50$124.20$302.45$1,518.00
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