Text Search
Structure Search

3-hydroxy-1-(3-methoxyphenyl)but-2-en-1-one

3-hydroxy-1-(3-methoxyphenyl)but-2-en-1-one

CAS: 29681-99-0

Formula: C11H12O3

SMILES: COC1=CC=CC(=C1)C(=O)C=C(C)O

IUPAC: 3-hydroxy-1-(3-methoxyphenyl)but-2-en-1-one

InChI: InChI=1S/C11H12O3/c1-8(12)6-11(13)9-4-3-5-10(7-9)14-2/h3-7,12H,1-2H3

Composition: C (68.74%), H (6.29%), O (24.97%)

Molar Mass: 192.214

Atom Count: 26

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 192.078644246
Formal Charge 0
FSP3 0.18
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey VCXOHCLVWZIKRU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.37
Topological Polar Surface Area 46.53
Polarizability 20.64
Ring Count 1
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
AA BLOCKS INC
Supplier Profile
Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 29681-99-0 $200.10-$822.25$200.10$276.00$822.25
Request Quote
MATRIX SCIENTIFIC
Supplier Profile
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 29681-99-0 $105.88-$568.97$105.88$162.56$568.97
Request Quote