Home Carboxys Cyclobutanecarboxylic acid, 2-(hydroxymethyl)-, methyl ester (9CI)

Cyclobutanecarboxylic acid, 2-(hydroxymethyl)-, methyl ester (9CI)

CAS No.:
209549-17-7
Catalog Number:
AG00BIBP
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
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Product Description
Catalog Number:
AG00BIBP
Chemical Name:
Cyclobutanecarboxylic acid, 2-(hydroxymethyl)-, methyl ester (9CI)
CAS Number:
209549-17-7
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
MDL Number:
MFCD11520901
IUPAC Name:
methyl 2-(hydroxymethyl)cyclobutane-1-carboxylate
InChI:
InChI=1S/C7H12O3/c1-10-7(9)6-3-2-5(6)4-8/h5-6,8H,2-4H2,1H3
InChI Key:
HVAGTCIDQYNDNN-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCC1CO
Properties
Complexity:
133  
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:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties