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24469-05-4 | Benzenebutanoic acid, α-amino-, methyl ester
CAS No: 24469-05-4 Catalog No: AG002O8H MDL No:
Product Description
Catalog Number:
AG002O8H
Chemical Name:
Benzenebutanoic acid, α-amino-, methyl ester
CAS Number:
24469-05-4
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
IUPAC Name:
methyl 2-amino-4-phenylbutanoate
InChI:
InChI=1S/C11H15NO2/c1-14-11(13)10(12)8-7-9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3
InChI Key:
YEPNFOMBMXWUOG-UHFFFAOYSA-N
SMILES:
COC(=O)C(CCc1ccccc1)N
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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