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1376218-63-1 | Butanoic acid, 3-amino-4-methoxy-3-methyl-, methyl ester
CAS No: 1376218-63-1 Catalog No: AG0013MX MDL No:MFCD22056341
Product Description
Catalog Number:
AG0013MX
Chemical Name:
Butanoic acid, 3-amino-4-methoxy-3-methyl-, methyl ester
CAS Number:
1376218-63-1
Molecular Formula:
C7H15NO3
Molecular Weight:
161.1989
MDL Number:
MFCD22056341
IUPAC Name:
methyl 3-amino-4-methoxy-3-methylbutanoate
InChI:
InChI=1S/C7H15NO3/c1-7(8,5-10-2)4-6(9)11-3/h4-5,8H2,1-3H3
InChI Key:
KNTILKYWBGWRCJ-UHFFFAOYSA-N
SMILES:
COCC(CC(=O)OC)(N)C
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.105g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.201g/mol
Monoisotopic Mass:
161.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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