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1195-81-9 | Cyclobutanecarboxylic acid, 1-(hydroxymethyl)-, ethyl ester
CAS No: 1195-81-9 Catalog No: AG000IWB MDL No:MFCD11707219
Product Description
Catalog Number:
AG000IWB
Chemical Name:
Cyclobutanecarboxylic acid, 1-(hydroxymethyl)-, ethyl ester
CAS Number:
1195-81-9
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
MDL Number:
MFCD11707219
IUPAC Name:
ethyl 1-(hydroxymethyl)cyclobutane-1-carboxylate
InChI:
InChI=1S/C8H14O3/c1-2-11-7(10)8(6-9)4-3-5-8/h9H,2-6H2,1H3
InChI Key:
PWMQFMMZBJUHID-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CO)CCC1
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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