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85434-97-5 | 2-[(4-ethenylbenzoyl)amino]acetic acid
CAS No: 85434-97-5 Catalog No: AG004SWK MDL No:
Product Description
Catalog Number:
AG004SWK
Chemical Name:
2-[(4-ethenylbenzoyl)amino]acetic acid
CAS Number:
85434-97-5
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
IUPAC Name:
2-[(4-ethenylbenzoyl)amino]acetic acid
InChI:
InChI=1S/C11H11NO3/c1-2-8-3-5-9(6-4-8)11(15)12-7-10(13)14/h2-6H,1,7H2,(H,12,15)(H,13,14)
InChI Key:
RTGUHSUUYGEBIG-UHFFFAOYSA-N
SMILES:
C=Cc1ccc(cc1)C(=O)NCC(=O)O
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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