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14898-52-3 | Benzenepropanoic acid, β-amino-, methyl ester
CAS No: 14898-52-3 Catalog No: AG001LBQ MDL No:MFCD01037010
Product Description
Catalog Number:
AG001LBQ
Chemical Name:
Benzenepropanoic acid, β-amino-, methyl ester
CAS Number:
14898-52-3
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD01037010
IUPAC Name:
methyl 3-amino-3-phenylpropanoate
InChI:
InChI=1S/C10H13NO2/c1-13-10(12)7-9(11)8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3
InChI Key:
XKIOBYHZFPTKCZ-UHFFFAOYSA-N
SMILES:
COC(=O)CC(c1ccccc1)N
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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