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3-[(4-acetylphenyl)carbamoyl]propanoic acid

3-[(4-acetylphenyl)carbamoyl]propanoic acid

CAS: 62134-55-8

Formula: C12H13NO4

SMILES: CC(=O)C1=CC=C(NC(=O)CCC(O)=O)C=C1

IUPAC: 3-[(4-acetylphenyl)carbamoyl]propanoic acid

InChI: InChI=1S/C12H13NO4/c1-8(14)9-2-4-10(5-3-9)13-11(15)6-7-12(16)17/h2-5H,6-7H2,1H3,(H,13,15)(H,16,17)

Composition: C (61.27%), H (5.57%), N (5.95%), O (27.20%)

Molar Mass: 235.239

Atom Count: 30

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 235.084457903
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey HLGOIZJQTLJRAO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.22
Topological Polar Surface Area 83.47
Polarizability 23.19
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 62134-55-8 $101.60$101.60
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