Home Other Building Blocks [(3-phenylpropyl)carbamoyl]formic acid

[(3-phenylpropyl)carbamoyl]formic acid

CAS No.:
359731-65-0
Catalog Number:
AG01AAED
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
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Product Description
Catalog Number:
AG01AAED
Chemical Name:
[(3-phenylpropyl)carbamoyl]formic acid
CAS Number:
359731-65-0
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
MDL Number:
MFCD10018434
IUPAC Name:
2-oxo-2-(3-phenylpropylamino)acetic acid
InChI:
InChI=1S/C11H13NO3/c13-10(11(14)15)12-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,13)(H,14,15)
InChI Key:
ORPHFBQGVGAQOA-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)NCCCc1ccccc1
Properties
Complexity:
222  
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:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties