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1225346-66-6 | 2-Naphthaleneethanol, 6-methoxy-β-methyl-, 2-carbamate, (βS)-
CAS No: 1225346-66-6 Catalog No: AG0017ES MDL No:MFCD23135334
Product Description
Catalog Number:
AG0017ES
Chemical Name:
2-Naphthaleneethanol, 6-methoxy-β-methyl-, 2-carbamate, (βS)-
CAS Number:
1225346-66-6
Molecular Formula:
C15H17NO3
Molecular Weight:
259.3004
MDL Number:
MFCD23135334
IUPAC Name:
[(2S)-2-(6-methoxynaphthalen-2-yl)propyl] carbamate
InChI:
InChI=1S/C15H17NO3/c1-10(9-19-15(16)17)11-3-4-13-8-14(18-2)6-5-12(13)7-11/h3-8,10H,9H2,1-2H3,(H2,16,17)/t10-/m1/s1
InChI Key:
VBTXLGYYXJYHTC-SNVBAGLBSA-N
SMILES:
COc1ccc2c(c1)ccc(c2)[C@@H](COC(=O)N)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
259.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.305g/mol
Monoisotopic Mass:
259.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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