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179057-29-5 | Benzaldehyde, 4-(1H-pyrazol-3-yl)-
CAS No: 179057-29-5 Catalog No: AG0026QJ MDL No:MFCD08669905
Product Description
Catalog Number:
AG0026QJ
Chemical Name:
Benzaldehyde, 4-(1H-pyrazol-3-yl)-
CAS Number:
179057-29-5
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
MDL Number:
MFCD08669905
IUPAC Name:
4-(1H-pyrazol-5-yl)benzaldehyde
InChI:
InChI=1S/C10H8N2O/c13-7-8-1-3-9(4-2-8)10-5-6-11-12-10/h1-7H,(H,11,12)
InChI Key:
OSTFMHHFZUBNQW-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1n[nH]cc1
Properties
Complexity:
176
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:
1.3
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