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1-(3-aminophenyl)cyclopropane-1-carboxylic acid

1-(3-aminophenyl)cyclopropane-1-carboxylic acid

CAS: 1314660-63-3

Formula: C10H11NO2

SMILES: NC1=CC=CC(=C1)C1(CC1)C(O)=O

IUPAC: 1-(3-aminophenyl)cyclopropane-1-carboxylic acid

InChI: InChI=1S/C10H11NO2/c11-8-3-1-2-7(6-8)10(4-5-10)9(12)13/h1-3,6H,4-5,11H2,(H,12,13)

Composition: C (67.78%), H (6.26%), N (7.90%), O (18.06%)

Molar Mass: 177.203

Atom Count: 24

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 177.078978598
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey AYHVAIFQXYGDSS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.34
Topological Polar Surface Area 63.32
Polarizability 18.62
Ring Count 2
Rotatable Bond Count 2

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