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Home > Aldehydes > 917746-81-7
917746-81-7 | 4-ETHOXY-3-(HYDROXYMETHYL)BENZALDEHYDE
CAS No: 917746-81-7 Catalog No: AG006P4J MDL No:MFCD03180283
Product Description
Catalog Number:
AG006P4J
Chemical Name:
4-ETHOXY-3-(HYDROXYMETHYL)BENZALDEHYDE
CAS Number:
917746-81-7
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD03180283
IUPAC Name:
4-ethoxy-3-(hydroxymethyl)benzaldehyde
InChI:
InChI=1S/C10H12O3/c1-2-13-10-4-3-8(6-11)5-9(10)7-12/h3-6,12H,2,7H2,1H3
InChI Key:
OWRYRHXFXXKCAW-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1CO)C=O
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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