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7-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

7-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

CAS: 1260639-77-7

Formula: C11H13NO2

SMILES: CC1=CC=C2CCNC(C(O)=O)C2=C1

IUPAC: 7-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

InChI: InChI=1/C11H13NO2/c1-7-2-3-8-4-5-12-10(11(13)14)9(8)6-7/h2-3,6,10,12H,4-5H2,1H3,(H,13,14)

Composition: C (69.09%), H (6.85%), N (7.32%), O (16.73%)

Molar Mass: 191.23

Atom Count: 27

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 191.094628663
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey YPMTUHZNKPXWPP-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.49
Topological Polar Surface Area 49.33
Polarizability 20.68
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 1260639-77-7 $179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70
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