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68527-74-2 | VANILLIN PROPYLENE GLYCOL ACETAL
CAS No: 68527-74-2 Catalog No: AG00FA3Y MDL No:MFCD00036666
Product Description
Catalog Number:
AG00FA3Y
Chemical Name:
VANILLIN PROPYLENE GLYCOL ACETAL
CAS Number:
68527-74-2
Molecular Formula:
C11H14O4
Molecular Weight:
210.2265
MDL Number:
MFCD00036666
IUPAC Name:
2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol
InChI:
InChI=1S/C11H14O4/c1-7-6-14-11(15-7)8-3-4-9(12)10(5-8)13-2/h3-5,7,11-12H,6H2,1-2H3
InChI Key:
RFGCVZIIIHRESZ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1O)C1OCC(O1)C
EC Number:
271-279-6
FEMA Number:
3905
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.089g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.229g/mol
Monoisotopic Mass:
210.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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