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1-[(3,4-dimethoxyphenyl)methyl]azetidine-3-carboxylic acid

1-[(3,4-dimethoxyphenyl)methyl]azetidine-3-carboxylic acid

CAS: 1260839-87-9

Formula: C13H17NO4

SMILES: COC1=C(OC)C=C(CN2CC(C2)C(O)=O)C=C1

IUPAC: 1-[(3,4-dimethoxyphenyl)methyl]azetidine-3-carboxylic acid

InChI: InChI=1S/C13H17NO4/c1-17-11-4-3-9(5-12(11)18-2)6-14-7-10(8-14)13(15)16/h3-5,10H,6-8H2,1-2H3,(H,15,16)

Composition: C (62.14%), H (6.82%), N (5.57%), O (25.47%)

Molar Mass: 251.282

Atom Count: 35

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 251.115758031
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey QNLRIWZBAXDSEN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.4
Topological Polar Surface Area 59
Polarizability 25.9
Ring Count 2
Rotatable Bond Count 5

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