Home Aminos Benzenepropanoic acid, β-(formylamino)-

Benzenepropanoic acid, β-(formylamino)-

CAS No.:
126575-05-1
Catalog Number:
AG000SXY
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
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Product Description
Catalog Number:
AG000SXY
Chemical Name:
Benzenepropanoic acid, β-(formylamino)-
CAS Number:
126575-05-1
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
MDL Number:
MFCD09837664
IUPAC Name:
3-formamido-3-phenylpropanoic acid
InChI:
InChI=1S/C10H11NO3/c12-7-11-9(6-10(13)14)8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,11,12)(H,13,14)
InChI Key:
FHCPDHZTKQFWKO-UHFFFAOYSA-N
SMILES:
O=CNC(c1ccccc1)CC(=O)O
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.074g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
193.202g/mol
Monoisotopic Mass:
193.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties