Home Other Building Blocks 2-[3-(4-methylphenyl)propanamido]acetic acid

2-[3-(4-methylphenyl)propanamido]acetic acid

CAS No.:
1098367-46-4
Catalog Number:
AG01A8HZ
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
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Product Description
Catalog Number:
AG01A8HZ
Chemical Name:
2-[3-(4-methylphenyl)propanamido]acetic acid
CAS Number:
1098367-46-4
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD11648372
IUPAC Name:
2-[3-(4-methylphenyl)propanoylamino]acetic acid
InChI:
InChI=1S/C12H15NO3/c1-9-2-4-10(5-3-9)6-7-11(14)13-8-12(15)16/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16)
InChI Key:
GAFYDSBFZUJAIL-UHFFFAOYSA-N
SMILES:
O=C(CCc1ccc(cc1)C)NCC(=O)O
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties