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Home > Pyridines > 853179-80-3
853179-80-3 | 2-Propenoic acid, 3-(6-methyl-2-pyridinyl)-, methyl ester, (2E)-
CAS No: 853179-80-3 Catalog No: AG00IDMQ MDL No:MFCD27947280
Product Description
Catalog Number:
AG00IDMQ
Chemical Name:
2-Propenoic acid, 3-(6-methyl-2-pyridinyl)-, methyl ester, (2E)-
CAS Number:
853179-80-3
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD27947280
IUPAC Name:
methyl (E)-3-(6-methylpyridin-2-yl)prop-2-enoate
InChI:
InChI=1S/C10H11NO2/c1-8-4-3-5-9(11-8)6-7-10(12)13-2/h3-7H,1-2H3/b7-6+
InChI Key:
RERVJXIHGQMDCR-VOTSOKGWSA-N
SMILES:
COC(=O)/C=C/c1cccc(n1)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
0
XLogP3:
1.6
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