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78584-33-5 | methyl 3-pyridin-4-ylprop-2-ynoate
CAS No: 78584-33-5 Catalog No: AG00ICYH MDL No:MFCD18205099
Product Description
Catalog Number:
AG00ICYH
Chemical Name:
methyl 3-pyridin-4-ylprop-2-ynoate
CAS Number:
78584-33-5
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD18205099
IUPAC Name:
methyl 3-pyridin-4-ylprop-2-ynoate
InChI:
InChI=1S/C9H7NO2/c1-12-9(11)3-2-8-4-6-10-7-5-8/h4-7H,1H3
InChI Key:
VLLKKRYTNVEEMD-UHFFFAOYSA-N
SMILES:
COC(=O)C#Cc1ccncc1
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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