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742102-14-3 | Benzoic acid, 4-[4-[[(phenylmethoxy)carbonyl]amino]butyl]-
CAS No: 742102-14-3 Catalog No: AG005DBL MDL No:
Product Description
Catalog Number:
AG005DBL
Chemical Name:
Benzoic acid, 4-[4-[[(phenylmethoxy)carbonyl]amino]butyl]-
CAS Number:
742102-14-3
Molecular Formula:
C19H21NO4
Molecular Weight:
327.3743
IUPAC Name:
4-[4-(phenylmethoxycarbonylamino)butyl]benzoic acid
InChI:
InChI=1S/C19H21NO4/c21-18(22)17-11-9-15(10-12-17)6-4-5-13-20-19(23)24-14-16-7-2-1-3-8-16/h1-3,7-12H,4-6,13-14H2,(H,20,23)(H,21,22)
InChI Key:
SELOFZSUAFPSKO-UHFFFAOYSA-N
SMILES:
O=C(OCc1ccccc1)NCCCCc1ccc(cc1)C(=O)O
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.147g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
327.38g/mol
Monoisotopic Mass:
327.147g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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