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771431-06-2 | Methyl 2-amino-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CAS No: 771431-06-2 Catalog No: AG00565O MDL No:MFCD04114922
Product Description
Catalog Number:
AG00565O
Chemical Name:
Methyl 2-amino-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CAS Number:
771431-06-2
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD04114922
IUPAC Name:
methyl 2-amino-6-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate
InChI:
InChI=1S/C13H17NO3/c1-16-11-4-3-10-8-13(14,12(15)17-2)6-5-9(10)7-11/h3-4,7H,5-6,8,14H2,1-2H3
InChI Key:
SYPVNCVANKJJSI-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)CCC(C2)(N)C(=O)OC
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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