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88674-08-2 | 4-Pentynoic acid, 2-diazo-3-hydroxy-5-phenyl-, methyl ester
CAS No: 88674-08-2 Catalog No: AG0047OB MDL No:
Product Description
Catalog Number:
AG0047OB
Chemical Name:
4-Pentynoic acid, 2-diazo-3-hydroxy-5-phenyl-, methyl ester
CAS Number:
88674-08-2
Molecular Formula:
C12H10N2O3
Molecular Weight:
230.2194
IUPAC Name:
methyl 2-diazo-3-hydroxy-5-phenylpent-4-ynoate
InChI:
InChI=1S/C12H10N2O3/c1-17-12(16)11(14-13)10(15)8-7-9-5-3-2-4-6-9/h2-6,10,15H,1H3
InChI Key:
OTNHTKDURAPHEZ-UHFFFAOYSA-N
SMILES:
COC(=O)C(=[N+]=[N-])C(C#Cc1ccccc1)O
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.223g/mol
Monoisotopic Mass:
230.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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