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806595-80-2 | Benzeneaceticacid, 4-(2-amino-1-oxopropyl)-
CAS No: 806595-80-2 Catalog No: AG005JZY MDL No:
Product Description
Catalog Number:
AG005JZY
Chemical Name:
Benzeneaceticacid, 4-(2-amino-1-oxopropyl)-
CAS Number:
806595-80-2
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
IUPAC Name:
2-[4-(2-aminopropanoyl)phenyl]acetic acid
InChI:
InChI=1S/C11H13NO3/c1-7(12)11(15)9-4-2-8(3-5-9)6-10(13)14/h2-5,7H,6,12H2,1H3,(H,13,14)
InChI Key:
PGBZDKRRUJWCPJ-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1)C(=O)C(N)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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