Home Aldehydes Isoxazole-3-carbaldehyde

Isoxazole-3-carbaldehyde

CAS No.:
89180-61-0
Catalog Number:
AG00369I
Molecular Formula:
C4H3NO2
Molecular Weight:
97.0721
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$252
- +
1g
95%
1 week
United States
$577
- +
Product Description
Catalog Number:
AG00369I
Chemical Name:
Isoxazole-3-carbaldehyde
CAS Number:
89180-61-0
Molecular Formula:
C4H3NO2
Molecular Weight:
97.0721
MDL Number:
MFCD06739019
IUPAC Name:
1,2-oxazole-3-carbaldehyde
InChI:
InChI=1S/C4H3NO2/c6-3-4-1-2-7-5-4/h1-3H
InChI Key:
WNVZOHNNPDZYFN-UHFFFAOYSA-N
SMILES:
O=Cc1ccon1
Properties
Complexity:
74.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
97.016g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
97.073g/mol
Monoisotopic Mass:
97.016g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Literature
Title Journal
Functional attenuation of human sperm by novel, non-surfactant spermicides: precise targeting of membrane physiology without affecting structure. Human reproduction (Oxford, England) 20100501
Properties