200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 175203-57-3
175203-57-3 | Benzaldehyde, 4-(3-hydroxy-3-methyl-1-butyn-1-yl)-, oxime
CAS No: 175203-57-3 Catalog No: AG0020KB MDL No:MFCD00174360
Product Description
Catalog Number:
AG0020KB
Chemical Name:
Benzaldehyde, 4-(3-hydroxy-3-methyl-1-butyn-1-yl)-, oxime
CAS Number:
175203-57-3
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD00174360
IUPAC Name:
4-[4-[(E)-hydroxyiminomethyl]phenyl]-2-methylbut-3-yn-2-ol
InChI:
InChI=1S/C12H13NO2/c1-12(2,14)8-7-10-3-5-11(6-4-10)9-13-15/h3-6,9,14-15H,1-2H3/b13-9+
InChI Key:
YWARVELZTLHCRL-UKTHLTGXSA-N
SMILES:
ON=Cc1ccc(cc1)C#CC(O)(C)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.