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(2E)-3-(2-methoxynaphthalen-1-yl)prop-2-enoic acid

(2E)-3-(2-methoxynaphthalen-1-yl)prop-2-enoic acid

CAS: 1082692-61-2

Formula: C14H12O3

SMILES: COC1=C(C=CC(O)=O)C2=CC=CC=C2C=C1

IUPAC: (2E)-3-(2-methoxynaphthalen-1-yl)prop-2-enoic acid

InChI: InChI=1S/C14H12O3/c1-17-13-8-6-10-4-2-3-5-11(10)12(13)7-9-14(15)16/h2-9H,1H3,(H,15,16)/b9-7+

Composition: C (73.67%), H (5.30%), O (21.03%)

Molar Mass: 228.247

Atom Count: 29

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 228.078644246
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey AOYGYGJJEGVZLW-VQHVLOKHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.97
Topological Polar Surface Area 46.53
Polarizability 26.15
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1082692-61-2 $2,060.00-$3,850.00$2,060.00$3,850.00
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