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85153-65-7 | 2-Butenoic acid,3-ethoxy-, methyl ester
CAS No: 85153-65-7 Catalog No: AG004QRZ MDL No:
Product Description
Catalog Number:
AG004QRZ
Chemical Name:
2-Butenoic acid,3-ethoxy-, methyl ester
CAS Number:
85153-65-7
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
IUPAC Name:
methyl (Z)-3-ethoxybut-2-enoate
InChI:
InChI=1S/C7H12O3/c1-4-10-6(2)5-7(8)9-3/h5H,4H2,1-3H3/b6-5-
InChI Key:
ORXGGVRQTQZUJW-WAYWQWQTSA-N
SMILES:
CCOC(=CC(=O)OC)C
EC Number:
285-848-1
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
144.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.17g/mol
Monoisotopic Mass:
144.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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