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129393-59-5 | Butanoic acid, 2-[(3-phenylpropoxy)imino]-
CAS No: 129393-59-5 Catalog No: AG000Z4L MDL No:
Product Description
Catalog Number:
AG000Z4L
Chemical Name:
Butanoic acid, 2-[(3-phenylpropoxy)imino]-
CAS Number:
129393-59-5
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
IUPAC Name:
2-(3-phenylpropoxyimino)butanoic acid
InChI:
InChI=1S/C13H17NO3/c1-2-12(13(15)16)14-17-10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,15,16)
InChI Key:
TVHDNHNLJMQXMI-UHFFFAOYSA-N
SMILES:
CCC(=NOCCCc1ccccc1)C(=O)O
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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