CAS 13041-12-8 | Phenol, 2-methoxy-6-methyl-4-(1-propen-1-yl)- | CAS Number 13041-12-8

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13041-12-8 | Phenol, 2-methoxy-6-methyl-4-(1-propen-1-yl)-

CAS No: 13041-12-8 Catalog No: AG000UEO MDL No:

Product Description

Catalog Number:

AG000UEO

Chemical Name:

Phenol, 2-methoxy-6-methyl-4-(1-propen-1-yl)-

CAS Number:

13041-12-8

Molecular Formula:

C11H14O2

Molecular Weight:

178.2277

IUPAC Name:

2-methoxy-3-methyl-4-prop-1-enylphenol

InChI:

InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12)11(13-3)8(9)2/h4-7,12H,1-3H3

InChI Key:

HHZIHDLTDXMWGF-UHFFFAOYSA-N

SMILES:

CC=Cc1cc(OC)c(c(c1)C)O

Properties

Complexity:

177

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

178.099g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

178.231g/mol

Monoisotopic Mass:

178.099g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9

Literature

Title	Journal
Chemical composition, antinociceptive and anti-inflammatory properties of essential oil from the roots of Illicium lanceolatum.	Natural product research 20120101
Major constituents and antimicrobial activity of Korean herb Acorus calamus.	Natural product research 20110801
Nematicidal Activity of Plant Essential Oils and Components From Ajowan (Trachyspermum ammi), Allspice (Pimenta dioica) and Litsea (Litsea cubeba) Essential Oils Against Pine Wood Nematode (Bursaphelenchus Xylophilus).	Journal of nematology 20070901
Bioactive constituents of brazilian red propolis.	Evidence-based complementary and alternative medicine : eCAM 20060601
Evidence for positive selection on the floral scent gene isoeugenol-O-methyltransferase.	Molecular biology and evolution 20030201
Skin sensitization to eugenol and isoeugenol in mice: possible metabolic pathways involving ortho-quinone and quinone methide intermediates.	Chemical research in toxicology 19970301