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129248-04-0 | 1-Naphthaleneacetic acid, 1,2,3,4-tetrahydro-, (1R)-
CAS No: 129248-04-0 Catalog No: AG000Z13 MDL No:
Product Description
Catalog Number:
AG000Z13
Chemical Name:
1-Naphthaleneacetic acid, 1,2,3,4-tetrahydro-, (1R)-
CAS Number:
129248-04-0
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
IUPAC Name:
2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
InChI:
InChI=1S/C12H14O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-2,4,7,10H,3,5-6,8H2,(H,13,14)/t10-/m1/s1
InChI Key:
JMLRZDXOJMFVPB-SNVBAGLBSA-N
SMILES:
OC(=O)C[C@H]1CCCc2c1cccc2
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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