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150521-41-8 | Cyclobutanecarboxylic acid, 2,3-bis(hydroxymethyl)-
CAS No: 150521-41-8 Catalog No: AG001MOU MDL No:
Product Description
Catalog Number:
AG001MOU
Chemical Name:
Cyclobutanecarboxylic acid, 2,3-bis(hydroxymethyl)-
CAS Number:
150521-41-8
Molecular Formula:
C7H12O4
Molecular Weight:
160.1678
IUPAC Name:
2,3-bis(hydroxymethyl)cyclobutane-1-carboxylic acid
InChI:
InChI=1S/C7H12O4/c8-2-4-1-5(7(10)11)6(4)3-9/h4-6,8-9H,1-3H2,(H,10,11)
InChI Key:
VYTKNDPZWGZXOX-UHFFFAOYSA-N
SMILES:
OCC1C(CO)CC1C(=O)O
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
160.169g/mol
Monoisotopic Mass:
160.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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