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88349-62-6 | 3-Buten-2-one, 4-methoxy-3-(4-pyridinyl)-
CAS No: 88349-62-6 Catalog No: AG00476Q MDL No:
Product Description
Catalog Number:
AG00476Q
Chemical Name:
3-Buten-2-one, 4-methoxy-3-(4-pyridinyl)-
CAS Number:
88349-62-6
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
IUPAC Name:
4-methoxy-3-pyridin-4-ylbut-3-en-2-one
InChI:
InChI=1S/C10H11NO2/c1-8(12)10(7-13-2)9-3-5-11-6-4-9/h3-7H,1-2H3
InChI Key:
QAWDFXARIVUYCT-UHFFFAOYSA-N
SMILES:
COC=C(c1ccncc1)C(=O)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.7
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