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102691-93-0 | 1-Naphthaleneacetic acid, α-methoxy-α-methyl-, (αS)-
CAS No: 102691-93-0 Catalog No: AG00084K MDL No:MFCD03093634
Product Description
Catalog Number:
AG00084K
Chemical Name:
1-Naphthaleneacetic acid, α-methoxy-α-methyl-, (αS)-
CAS Number:
102691-93-0
Molecular Formula:
C14H14O3
Molecular Weight:
230.2592
MDL Number:
MFCD03093634
IUPAC Name:
(2S)-2-methoxy-2-naphthalen-1-ylpropanoic acid
InChI:
InChI=1S/C14H14O3/c1-14(17-2,13(15)16)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3,(H,15,16)/t14-/m0/s1
InChI Key:
YVWMPILNFZOQSZ-AWEZNQCLSA-N
SMILES:
CO[C@@](c1cccc2c1cccc2)(C(=O)O)C
UNII:
68SLX52TK8
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
230.094g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.263g/mol
Monoisotopic Mass:
230.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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