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2-[(3-methylphenyl)carbamoyl]acetic acid

2-[(3-methylphenyl)carbamoyl]acetic acid

CAS: 95262-00-3

Formula: C10H11NO3

SMILES: CC1=CC=CC(NC(=O)CC(O)=O)=C1

IUPAC: 2-[(3-methylphenyl)carbamoyl]acetic acid

InChI: InChI=1S/C10H11NO3/c1-7-3-2-4-8(5-7)11-9(12)6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)

Composition: C (62.17%), H (5.74%), N (7.25%), O (24.84%)

Molar Mass: 193.202

Atom Count: 25

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 193.073893218
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey VXGWLFVNSUWCNK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.31
Topological Polar Surface Area 66.4
Polarizability 19.36
Ring Count 1
Rotatable Bond Count 3

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95% <4 Days 95262-00-3 $28.75-$1,189.10$28.75$116.15$234.60$1,189.10
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