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854545-61-2 | 4-Pentynoic acid, 2-diazo-3-hydroxy-5-phenyl-, ethyl ester
CAS No: 854545-61-2 Catalog No: AG004NNA MDL No:
Product Description
Catalog Number:
AG004NNA
Chemical Name:
4-Pentynoic acid, 2-diazo-3-hydroxy-5-phenyl-, ethyl ester
CAS Number:
854545-61-2
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
IUPAC Name:
ethyl 2-diazo-3-hydroxy-5-phenylpent-4-ynoate
InChI:
InChI=1S/C13H12N2O3/c1-2-18-13(17)12(15-14)11(16)9-8-10-6-4-3-5-7-10/h3-7,11,16H,2H2,1H3
InChI Key:
QHVWUCAFPPDSNE-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=[N+]=[N-])C(C#Cc1ccccc1)O
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.25g/mol
Monoisotopic Mass:
244.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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