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149506-05-8 | Benzenepropanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS No: 149506-05-8 Catalog No: AG001LSK MDL No:MFCD06656430
Product Description
Catalog Number:
AG001LSK
Chemical Name:
Benzenepropanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS Number:
149506-05-8
Molecular Formula:
C14H19NO4
Molecular Weight:
265.3050
MDL Number:
MFCD06656430
IUPAC Name:
3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoic acid
InChI:
InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-11-7-4-10(5-8-11)6-9-12(16)17/h4-5,7-8H,6,9H2,1-3H3,(H,15,18)(H,16,17)
InChI Key:
ZENOSLRCCHSZKU-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)CCC(=O)O)OC(C)(C)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
265.309g/mol
Monoisotopic Mass:
265.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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