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3,5-dimethyl-1H-pyrrole-2-carboxylic acid

3,5-dimethyl-1H-pyrrole-2-carboxylic acid

CAS: 4513-93-3

Formula: C7H9NO2

SMILES: CC1=CC(C)=C(N1)C(O)=O

IUPAC: 3,5-dimethyl-1H-pyrrole-2-carboxylic acid

InChI: InChI=1S/C7H9NO2/c1-4-3-5(2)8-6(4)7(9)10/h3,8H,1-2H3,(H,9,10)

Composition: C (60.42%), H (6.52%), N (10.07%), O (22.99%)

Molar Mass: 139.154

Atom Count: 19

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 139.063328534
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey XQGVQRPSTODODM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 38.14
Topological Polar Surface Area 53.09
Polarizability 13.92
Ring Count 1
Rotatable Bond Count 1

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Struchem co.,ltd
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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 4513-93-3 $554.00-$646.00$554.00$646.00
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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 4513-93-3 $84.49-$625.46$84.49$322.82$625.46
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96% <2 Days 4513-93-3 $342.70-$3,447.70$342.70$1,032.70$3,447.70
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