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1408075-48-8 | Cyclobutanecarboxylic acid, 3-hydroxy-1-methyl-, methyl ester, trans-
CAS No: 1408075-48-8 Catalog No: AG001CTX MDL No:MFCD23105988
Product Description
Catalog Number:
AG001CTX
Chemical Name:
Cyclobutanecarboxylic acid, 3-hydroxy-1-methyl-, methyl ester, trans-
CAS Number:
1408075-48-8
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
MDL Number:
MFCD23105988
IUPAC Name:
methyl 3-hydroxy-1-methylcyclobutane-1-carboxylate
InChI:
InChI=1S/C7H12O3/c1-7(6(9)10-2)3-5(8)4-7/h5,8H,3-4H2,1-2H3
InChI Key:
KFLCCZPFOPDGLN-UHFFFAOYSA-N
SMILES:
COC(=O)[C@]1(C)C[C@H](C1)O
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.17g/mol
Monoisotopic Mass:
144.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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