200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 499216-06-7
499216-06-7 | 4-Phenyl-1H-pyrazole-3-carbaldehyde
CAS No: 499216-06-7 Catalog No: AG01ED85 MDL No:
Product Description
Catalog Number:
AG01ED85
Chemical Name:
4-Phenyl-1H-pyrazole-3-carbaldehyde
CAS Number:
499216-06-7
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
IUPAC Name:
4-phenyl-1H-pyrazole-5-carbaldehyde
InChI:
InChI=1S/C10H8N2O/c13-7-10-9(6-11-12-10)8-4-2-1-3-5-8/h1-7H,(H,11,12)
InChI Key:
LDLPKBBMGGXUCL-UHFFFAOYSA-N
SMILES:
O=Cc1n[nH]cc1c1ccccc1
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.