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2233-18-3 | 3,5-Dimethyl-4-hydroxybenzaldehyde
CAS No: 2233-18-3 Catalog No: AG0033JJ MDL No:MFCD00006946
Product Description
Catalog Number:
AG0033JJ
Chemical Name:
3,5-Dimethyl-4-hydroxybenzaldehyde
CAS Number:
2233-18-3
Molecular Formula:
C9H10O2
Molecular Weight:
150.1745
MDL Number:
MFCD00006946
IUPAC Name:
4-hydroxy-3,5-dimethylbenzaldehyde
InChI:
InChI=1S/C9H10O2/c1-6-3-8(5-10)4-7(2)9(6)11/h3-5,11H,1-2H3
InChI Key:
UYGBSRJODQHNLQ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)c(c(c1)C)O
EC Number:
218-774-5
UNII:
23PA2PMP9F
NSC Number:
128405
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.177g/mol
Monoisotopic Mass:
150.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| A new pyrroloquinazoline alkaloid from Linaria vulgaris. | Chemical & pharmaceutical bulletin 20021001 |
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