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(2Z)-2-phenylbut-2-enedioic acid

(2Z)-2-phenylbut-2-enedioic acid

CAS: 16110-98-8

Formula: C10H8O4

SMILES: OC(=O)C=C(/C(O)=O)C1=CC=CC=C1

IUPAC: (2Z)-2-phenylbut-2-enedioic acid

InChI: InChI=1S/C10H8O4/c11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)/b8-6-

Composition: C (62.50%), H (4.20%), O (33.30%)

Molar Mass: 192.17

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 192.042258738
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey CQNPSIAJXGEDQS-VURMDHGXSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.06
Topological Polar Surface Area 74.6
Polarizability 18.52
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 16110-98-8 $55.48-$892.79$55.48$90.79$248.42$892.79
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