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1019389-98-0 | Benzeneacetic acid, 4-[[(2-methylpropoxy)carbonyl]amino]-
CAS No: 1019389-98-0 Catalog No: AG000617 MDL No:
Product Description
Catalog Number:
AG000617
Chemical Name:
Benzeneacetic acid, 4-[[(2-methylpropoxy)carbonyl]amino]-
CAS Number:
1019389-98-0
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
IUPAC Name:
2-[4-(2-methylpropoxycarbonylamino)phenyl]acetic acid
InChI:
InChI=1S/C13H17NO4/c1-9(2)8-18-13(17)14-11-5-3-10(4-6-11)7-12(15)16/h3-6,9H,7-8H2,1-2H3,(H,14,17)(H,15,16)
InChI Key:
TWBICOOAQQAMTD-UHFFFAOYSA-N
SMILES:
CC(COC(=O)Nc1ccc(cc1)CC(=O)O)C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.282g/mol
Monoisotopic Mass:
251.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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