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131179-07-2 | 2-Cyclobutene-1-carboxylic acid, 1-methyl-, methyl ester
CAS No: 131179-07-2 Catalog No: AG000VNC MDL No:
Product Description
Catalog Number:
AG000VNC
Chemical Name:
2-Cyclobutene-1-carboxylic acid, 1-methyl-, methyl ester
CAS Number:
131179-07-2
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
IUPAC Name:
methyl 1-methylcyclobut-2-ene-1-carboxylate
InChI:
InChI=1S/C7H10O2/c1-7(4-3-5-7)6(8)9-2/h3-4H,5H2,1-2H3
InChI Key:
AZRULMGFTKUOCV-UHFFFAOYSA-N
SMILES:
CC1(CC=C1)C(=O)OC
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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