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85586-73-8 | 4-HYDROXY-3,3-BIS(HYDROXYMETHYL)BUTYRALDEHYDE
CAS No: 85586-73-8 Catalog No: AG004U5U MDL No:
Product Description
Catalog Number:
AG004U5U
Chemical Name:
4-HYDROXY-3,3-BIS(HYDROXYMETHYL)BUTYRALDEHYDE
CAS Number:
85586-73-8
Molecular Formula:
C6H12O4
Molecular Weight:
148.1571
IUPAC Name:
4-hydroxy-3,3-bis(hydroxymethyl)butanal
InChI:
InChI=1S/C6H12O4/c7-2-1-6(3-8,4-9)5-10/h2,8-10H,1,3-5H2
InChI Key:
SNBWCDIAEFVYLF-UHFFFAOYSA-N
SMILES:
OCC(CC=O)(CO)CO
EC Number:
287-879-6
Properties
Complexity:
89.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.074g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
148.158g/mol
Monoisotopic Mass:
148.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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