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4-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}benzoic acid

4-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}benzoic acid

CAS: 1187932-84-8

Formula: C12H15NO3

SMILES: O[C@@H]1CCN(CC2=CC=C(C=C2)C(O)=O)C1

IUPAC: 4-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}benzoic acid

InChI: InChI=1S/C12H15NO3/c14-11-5-6-13(8-11)7-9-1-3-10(4-2-9)12(15)16/h1-4,11,14H,5-8H2,(H,15,16)/t11-/m1/s1

Composition: C (65.14%), H (6.83%), N (6.33%), O (21.69%)

Molar Mass: 221.256

Atom Count: 31

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 221.105193347
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey CLRWLJGVBPGIRW-LLVKDONJSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.72
Topological Polar Surface Area 60.77
Polarizability 23.28
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS UnitPrice
98% <10 Days 1187932-84-8 Quote Only
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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 1187932-84-8 $179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70
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